ChemLookup

Monday, October 1, 2012

http://ChemLookup.com Compounds

CAS RN: 1047-90-1
CAS Name: N'-phenylcarbamimidothioic acid 4-[[amino(phenylimino)methyl]thio]butyl ester dihydrobromide
OPENEYE Name: 3-phenyl-2-[4-(N'-phenylcarbamimidoyl)sulfanylbutyl]isothiourea dihydrobromide
IUPAC Name: 4-(N'-phenylcarbamimidoyl)sulfanylbutyl N'-phenylcarbamimidothioate dihydrobromide
SYSTEMATIC NAME: 4-(N'-phenylcarbamimidoyl)sulfanylbutyl N'-phenylcarbamimidothioate dihydrobromide
MOLECULAR FORMULA: C18H24Br2N4S2
MOLECULAR WEIGHT: 520.34796
SMILES: C1=CC=C(C=C1)N=C(N)SCCCCSC(=NC2=CC=CC=C2)N.Br.Br
Structure:

CAS RN: 1046-78-2
CAS Name: N-[3-hydroxy-4-(hydroxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide
OPENEYE Name: N-[3-hydroxy-4-(hydroxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide
IUPAC Name: N-[3-hydroxy-4-(hydroxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide
SYSTEMATIC NAME: N-[4-(hydroxymethyl)-6-methoxy-7-methyl-3-oxidanyl-5,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]ethanamide
MOLECULAR FORMULA: C16H18N2O6
MOLECULAR WEIGHT: 334.32392
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2CO)O)NC(=O)C)OC
Structure:

CAS RN: 30949-39-4
CAS Name: N-[3-hydroxy-4-(hydroxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide
OPENEYE Name: N-[3-hydroxy-4-(hydroxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide
IUPAC Name: N-[3-hydroxy-4-(hydroxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide
SYSTEMATIC NAME: N-[4-(hydroxymethyl)-6-methoxy-7-methyl-3-oxidanyl-5,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]ethanamide
MOLECULAR FORMULA: C16H18N2O6
MOLECULAR WEIGHT: 334.32392
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2CO)O)NC(=O)C)OC
Structure:

CAS RN: 1013-67-8
CAS Name: 3,3-dimethyl-2-phenylmorpholine hydrochloride
OPENEYE Name: 3,3-dimethyl-2-phenyl-morpholine hydrochloride
IUPAC Name: 3,3-dimethyl-2-phenylmorpholine hydrochloride
SYSTEMATIC NAME: 3,3-dimethyl-2-phenyl-morpholine hydrochloride
MOLECULAR FORMULA: C12H18ClNO
MOLECULAR WEIGHT: 227.73042
SMILES: CC1(C(OCCN1)C2=CC=CC=C2)C.Cl
Structure:

CAS RN: 16917-41-2
CAS Name: 3-phenyl-5-oxadiazol-3-iumamine chloride
OPENEYE Name: 3-phenyloxadiazol-3-ium-5-amine chloride
IUPAC Name: 3-phenyloxadiazol-3-ium-5-amine chloride
SYSTEMATIC NAME: 3-phenyl-1,2,3-oxadiazol-3-ium-5-amine chloride
MOLECULAR FORMULA: C8H8ClN3O
MOLECULAR WEIGHT: 197.62162
SMILES: C1=CC=C(C=C1)[N+]2=NOC(=C2)N.[Cl-]
Structure:

CAS RN: 1005-91-0
CAS Name: 2-(chloromethyl)-2-phenyloxirane
OPENEYE Name: 2-(chloromethyl)-2-phenyl-oxirane
IUPAC Name: 2-(chloromethyl)-2-phenyloxirane
SYSTEMATIC NAME: 2-(chloromethyl)-2-phenyl-oxirane
MOLECULAR FORMULA: C9H9ClO
MOLECULAR WEIGHT: 168.62016
SMILES: C1C(O1)(CCl)C2=CC=CC=C2
Structure:

CAS RN: 988-43-2
CAS Name: 4-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]morpholine
OPENEYE Name: 4-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]morpholine
IUPAC Name: 4-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]morpholine
SYSTEMATIC NAME: 4-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]morpholine
MOLECULAR FORMULA: C28H29NO3
MOLECULAR WEIGHT: 427.53476
SMILES: COC1=CC2=C(C=C1)C(=C(C2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCOCC5
Structure:

CAS RN: 968-03-6
CAS Name: 2-(diethylamino)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]acetamide hydrochloride
OPENEYE Name: 2-(diethylamino)-N-[(5-isopropyl-2-methyl-phenyl)methyl]-N-methyl-acetamide hydrochloride
IUPAC Name: 2-(diethylamino)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]acetamide hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)-N-methyl-N-[(2-methyl-5-propan-2-yl-phenyl)methyl]ethanamide hydrochloride
MOLECULAR FORMULA: C18H31ClN2O
MOLECULAR WEIGHT: 326.90454
SMILES: CCN(CC)CC(=O)N(C)CC1=C(C=CC(=C1)C(C)C)C.Cl
Structure:

CAS RN: 938-17-0
CAS Name: 1-methyl-8-quinolin-1-iumol iodide
OPENEYE Name: 1-methylquinolin-1-ium-8-ol iodide
IUPAC Name: 1-methylquinolin-1-ium-8-ol iodide
SYSTEMATIC NAME: 1-methylquinolin-1-ium-8-ol iodide
MOLECULAR FORMULA: C10H10INO
MOLECULAR WEIGHT: 287.09697
SMILES: C[N+]1=CC=CC2=C1C(=CC=C2)O.[I-]
Structure:

CAS RN: 914-53-4
CAS Name: N,N-diethyl-2-[4-(2-phenyl-3H-inden-1-yl)phenoxy]ethanamine; perchloric acid
OPENEYE Name: N,N-diethyl-2-[4-(2-phenyl-3H-inden-1-yl)phenoxy]ethanamine; perchloric acid
IUPAC Name: N,N-diethyl-2-[4-(2-phenyl-3H-inden-1-yl)phenoxy]ethanamine; perchloric acid
SYSTEMATIC NAME: N,N-diethyl-2-[4-(2-phenyl-3H-inden-1-yl)phenoxy]ethanamine; perchloric acid
MOLECULAR FORMULA: C27H30ClNO5
MOLECULAR WEIGHT: 483.9838
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CC3=CC=CC=C32)C4=CC=CC=C4.OCl(=O)(=O)=O
Structure:

CAS RN: 912-63-0
CAS Name: 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenyl-3H-inden-5-ol
OPENEYE Name: 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenyl-3H-inden-5-ol
IUPAC Name: 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenyl-3H-inden-5-ol
SYSTEMATIC NAME: 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenyl-3H-inden-5-ol
MOLECULAR FORMULA: C27H29NO2
MOLECULAR WEIGHT: 399.52466
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CC3=C2C=CC(=C3)O)C4=CC=CC=C4
Structure:

CAS RN: 908-36-1
CAS Name: 2-hydroxypropanoic acid; 2-[2-(5-nitro-2-furanyl)ethenyl]-4-quinolinamine
OPENEYE Name: 2-hydroxypropanoic acid; 2-[2-(5-nitro-2-furyl)vinyl]quinolin-4-amine
IUPAC Name: 2-hydroxypropanoic acid; 2-[2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-amine
SYSTEMATIC NAME: 2-[2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-amine; 2-oxidanylpropanoic acid
MOLECULAR FORMULA: C18H17N3O6
MOLECULAR WEIGHT: 371.34408
SMILES: CC(C(=O)O)O.C1=CC=C2C(=C1)C(=CC(=N2)C=CC3=CC=C(O3)[N+](=O)[O-])N
Structure:

CAS RN: 896-22-0
CAS Name: 1-(4-methoxyphenyl)-5-(1-piperidinyl)-1-penten-3-one hydrochloride
OPENEYE Name: 1-(4-methoxyphenyl)-5-(1-piperidyl)pent-1-en-3-one hydrochloride
IUPAC Name: 1-(4-methoxyphenyl)-5-piperidin-1-ylpent-1-en-3-one hydrochloride
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-5-piperidin-1-yl-pent-1-en-3-one hydrochloride
MOLECULAR FORMULA: C17H24ClNO2
MOLECULAR WEIGHT: 309.83096
SMILES: COC1=CC=C(C=C1)C=CC(=O)CCN2CCCCC2.Cl
Structure:

CAS RN: 893-53-8
CAS Name: 1-(4-nitrophenyl)-3-(1-piperidinyl)-1-propanone hydrochloride
OPENEYE Name: 1-(4-nitrophenyl)-3-(1-piperidyl)propan-1-one hydrochloride
IUPAC Name: 1-(4-nitrophenyl)-3-piperidin-1-ylpropan-1-one hydrochloride
SYSTEMATIC NAME: 1-(4-nitrophenyl)-3-piperidin-1-yl-propan-1-one hydrochloride
MOLECULAR FORMULA: C14H19ClN2O3
MOLECULAR WEIGHT: 298.76526
SMILES: C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl
Structure:

CAS RN: 886-87-3
CAS Name: (4-diazoniophenyl)-trimethylammonium chloride tetrafluoroborate
OPENEYE Name: (4-diazoniophenyl)-trimethyl-ammonium chloride tetrafluoroborate
IUPAC Name: (4-diazoniophenyl)-trimethylazanium chloride tetrafluoroborate
SYSTEMATIC NAME: (4-diazoniophenyl)-trimethyl-azanium chloride tetrafluoroborate
MOLECULAR FORMULA: C9H13BClF4N3
MOLECULAR WEIGHT: 285.477233
SMILES: [B-](F)(F)(F)F.C[N+](C)(C)C1=CC=C(C=C1)[N+]#N.[Cl-]
Structure:

CAS RN: 881-83-4
CAS Name: 1-(4-bromophenyl)-3-(dimethylamino)-1-propanone hydrochloride
OPENEYE Name: 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one hydrochloride
IUPAC Name: 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one hydrochloride
MOLECULAR FORMULA: C11H15BrClNO
MOLECULAR WEIGHT: 292.5999
SMILES: CN(C)CCC(=O)C1=CC=C(C=C1)Br.Cl
Structure:

CAS RN: 876-85-7
CAS Name: 4-(hydroxymethyl)-5-(mercaptomethyl)-2-methyl-3-pyridinol hydrochloride
OPENEYE Name: 4-(hydroxymethyl)-2-methyl-5-(sulfanylmethyl)pyridin-3-ol hydrochloride
IUPAC Name: 4-(hydroxymethyl)-2-methyl-5-(sulfanylmethyl)pyridin-3-ol hydrochloride
SYSTEMATIC NAME: 4-(hydroxymethyl)-2-methyl-5-(sulfanylmethyl)pyridin-3-ol hydrochloride
MOLECULAR FORMULA: C8H12ClNO2S
MOLECULAR WEIGHT: 221.70438
SMILES: CC1=NC=C(C(=C1O)CO)CS.Cl
Structure:

CAS RN: 873-93-8
CAS Name: 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethanol
OPENEYE Name: 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethanol
IUPAC Name: 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethanol
SYSTEMATIC NAME: 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethanol
MOLECULAR FORMULA: C5H9O4P
MOLECULAR WEIGHT: 164.096321
SMILES: C1C2(COP(O1)OC2)CO
Structure:

CAS RN: 15312-12-6
CAS Name: 1,1-dimethylpyrrolidin-1-ium
OPENEYE Name: 1,1-dimethylpyrrolidin-1-ium
IUPAC Name: 1,1-dimethylpyrrolidin-1-ium
SYSTEMATIC NAME: 1,1-dimethylpyrrolidin-1-ium
MOLECULAR FORMULA: C6H14N+
MOLECULAR WEIGHT: 100.18206
SMILES: C[N+]1(CCCC1)C
Structure:

CAS RN: 872-44-6
CAS Name: 1,1-dimethylpyrrolidin-1-ium iodide
OPENEYE Name: 1,1-dimethylpyrrolidin-1-ium iodide
IUPAC Name: 1,1-dimethylpyrrolidin-1-ium iodide
SYSTEMATIC NAME: 1,1-dimethylpyrrolidin-1-ium iodide
MOLECULAR FORMULA: C6H14IN
MOLECULAR WEIGHT: 227.08653
SMILES: C[N+]1(CCCC1)C.[I-]
Structure:

CAS RN: 858-15-1
CAS Name: 2-hydroxypropanoic acid; 4-[2-(5-nitro-2-furanyl)ethenyl]-2-quinolinamine
OPENEYE Name: 2-hydroxypropanoic acid; 4-[2-(5-nitro-2-furyl)vinyl]quinolin-2-amine
IUPAC Name: 2-hydroxypropanoic acid; 4-[2-(5-nitrofuran-2-yl)ethenyl]quinolin-2-amine
SYSTEMATIC NAME: 4-[2-(5-nitrofuran-2-yl)ethenyl]quinolin-2-amine; 2-oxidanylpropanoic acid
MOLECULAR FORMULA: C18H17N3O6
MOLECULAR WEIGHT: 371.34408
SMILES: CC(C(=O)O)O.C1=CC=C2C(=C1)C(=CC(=N2)N)C=CC3=CC=C(O3)[N+](=O)[O-]
Structure:

CAS RN: 857-97-6
CAS Name: 1-[2-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethoxy]ethyl]piperidine
OPENEYE Name: 1-[2-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethoxy]ethyl]piperidine
IUPAC Name: 1-[2-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethoxy]ethyl]piperidine
SYSTEMATIC NAME: 1-[2-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethoxy]ethyl]piperidine
MOLECULAR FORMULA: C20H33NO5
MOLECULAR WEIGHT: 367.47972
SMILES: COC1=CC=CC=C1OCCOCCOCCOCCN2CCCCC2
Structure:

http://ChemLookup.com Compounds

CAS RN: 1472-34-0
CAS Name: 2-[(1-butyl-5-chloro-3-indazolyl)oxy]-N,N-dimethylethanamine hydrochloride
OPENEYE Name: 2-(1-butyl-5-chloro-indazol-3-yl)oxy-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-(1-butyl-5-chloroindazol-3-yl)oxy-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-(1-butyl-5-chloranyl-indazol-3-yl)oxy-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C15H23Cl2N3O
MOLECULAR WEIGHT: 332.26862
SMILES: CCCCN1C2=C(C=C(C=C2)Cl)C(=N1)OCCN(C)C.Cl
Structure:

CAS RN: 1472-33-9
CAS Name: 3-[[1-[(4-methoxyphenyl)methyl]-3-indazolyl]oxy]-N,N-dimethyl-1-propanamine hydrochloride
OPENEYE Name: 3-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: 3-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C20H26ClN3O2
MOLECULAR WEIGHT: 375.89234
SMILES: CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)OC.Cl
Structure:

CAS RN: 1472-28-2
CAS Name: 2-[[1-[(4-chlorophenyl)methyl]-3-indazolyl]oxy]-N,N-dimethylethanamine hydrochloride
OPENEYE Name: 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]oxy-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C18H21Cl2N3O
MOLECULAR WEIGHT: 366.28484
SMILES: CN(C)CCOC1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl.Cl
Structure:

CAS RN: 1472-18-0
CAS Name: 1-(2-chlorophenyl)-4-(3-phenoxypropyl)piperazine hydrochloride
OPENEYE Name: 1-(2-chlorophenyl)-4-(3-phenoxypropyl)piperazine hydrochloride
IUPAC Name: 1-(2-chlorophenyl)-4-(3-phenoxypropyl)piperazine hydrochloride
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-(3-phenoxypropyl)piperazine hydrochloride
MOLECULAR FORMULA: C19H24Cl2N2O
MOLECULAR WEIGHT: 367.31266
SMILES: C1CN(CCN1CCCOC2=CC=CC=C2)C3=CC=CC=C3Cl.Cl
Structure:

CAS RN: 1434-68-0
CAS Name: (8S,9S,10R,13S,14S,16S,17R)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-16-carboxamide
OPENEYE Name: (8S,9S,10R,13S,14S,16S,17R)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-16-carboxamide
IUPAC Name: (8S,9S,10R,13S,14S,16S,17R)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-16-carboxamide
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,16S,17R)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-16-carboxamide
MOLECULAR FORMULA: C22H31NO3
MOLECULAR WEIGHT: 357.48644
SMILES: CC(=O)[C@@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)N
Structure:

CAS RN: 1428-92-8
CAS Name: 1,4-bis(2-chloroethyl)piperazine dihydrochloride
OPENEYE Name: 1,4-bis(2-chloroethyl)piperazine dihydrochloride
IUPAC Name: 1,4-bis(2-chloroethyl)piperazine dihydrochloride
SYSTEMATIC NAME: 1,4-bis(2-chloroethyl)piperazine dihydrochloride
MOLECULAR FORMULA: C8H18Cl4N2
MOLECULAR WEIGHT: 284.05392
SMILES: C1CN(CCN1CCCl)CCCl.Cl.Cl
Structure:

CAS RN: 1402-46-6
CAS Name: 2-amino-N1,N9-bis(12-butan-2-yl-4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-3-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
OPENEYE Name: 2-amino-N1,N9-bis(3-isopropyl-4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-12-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl)-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide
IUPAC Name: 2-amino-1-N,9-N-bis(12-butan-2-yl-4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-3-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
SYSTEMATIC NAME: 2-azanyl-N1,N9-bis[12-butan-2-yl-4,7,10,16-tetramethyl-2,5,8,11,14-pentakis(oxidanylidene)-3-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-4,6-dimethyl-3-oxidanylidene-phenoxazine-1,9-dicarboxamide
MOLECULAR FORMULA: C60H86N12O16
MOLECULAR WEIGHT: 1231.39564
SMILES: CCC(C)C1C(=O)N(CC(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C2=C3C(=C(C=C2)C)OC4=C(C(=O)C(=C(C4=N3)C(=O)NC5C(OC(=O)C(N(C(=O)CN(C(=O)CN(C(=O)C(NC5=O)C(C)CC)C)C)C)C(C)C)C)N)C)C)C(C)C)C)C)C
Structure:

CAS RN: 1402-42-2
CAS Name: 2-amino-N1,N9-bis[3,10-di(butan-2-yl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
OPENEYE Name: 2-amino-4,6-dimethyl-3-oxo-N1,N9-bis(7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-disec-butyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)phenoxazine-1,9-dicarboxamide
IUPAC Name: 2-amino-1-N,9-N-bis[3,10-di(butan-2-yl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
SYSTEMATIC NAME: 2-azanyl-N1,N9-bis[3,10-di(butan-2-yl)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxidanylidene-phenoxazine-1,9-dicarboxamide
MOLECULAR FORMULA: C66H94N12O16
MOLECULAR WEIGHT: 1311.52336
SMILES: CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)CC)C)C)C(C)CC)C)N)C)C)C(C)CC)C)C
Structure:

CAS RN: 1331-54-0
CAS Name: 2-(2-ethylhexyl)phenol
OPENEYE Name: 2-(2-ethylhexyl)phenol
IUPAC Name: 2-(2-ethylhexyl)phenol
SYSTEMATIC NAME: 2-(2-ethylhexyl)phenol
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CCCCC(CC)CC1=CC=CC=C1O
Structure:

CAS RN: 1331-45-9
CAS Name: acetic acid (2-cyano-2-ethylcyclohexyl) ester
OPENEYE Name: (2-cyano-2-ethyl-cyclohexyl) acetate
IUPAC Name: (2-cyano-2-ethylcyclohexyl) acetate
SYSTEMATIC NAME: (2-cyano-2-ethyl-cyclohexyl) ethanoate
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CCC1(CCCCC1OC(=O)C)C#N
Structure:

CAS RN: 1331-33-5
CAS Name: 3,3-dimethyl-2-oxepanone
OPENEYE Name: 3,3-dimethyloxepan-2-one
IUPAC Name: 3,3-dimethyloxepan-2-one
SYSTEMATIC NAME: 3,3-dimethyloxepan-2-one
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CC1(CCCCOC1=O)C
Structure:

CAS RN: 1321-18-2
CAS Name: 3-methyl-2-oxepanone
OPENEYE Name: 3-methyloxepan-2-one
IUPAC Name: 3-methyloxepan-2-one
SYSTEMATIC NAME: 3-methyloxepan-2-one
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CC1CCCCOC1=O
Structure:

CAS RN: 2549-61-3
CAS Name: 3-methyl-2-oxepanone
OPENEYE Name: 3-methyloxepan-2-one
IUPAC Name: 3-methyloxepan-2-one
SYSTEMATIC NAME: 3-methyloxepan-2-one
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CC1CCCCOC1=O
Structure:

CAS RN: 1300-14-7
CAS Name: aniline; antimony(3+); 2,3-dioxidobutanedioate; hydron
OPENEYE Name: aniline; antimony(3+); 2,3-dioxidobutanedioate; hydron
IUPAC Name: aniline; antimony(3+); 2,3-dioxidobutanedioate; hydron
SYSTEMATIC NAME: aniline; antimony(3+); 2,3-bis(oxidanidyl)butanedioate; hydron
MOLECULAR FORMULA: C20H20N2O12Sb2
MOLECULAR WEIGHT: 723.899
SMILES: [H+].[H+].C1=CC=C(C=C1)N.C1=CC=C(C=C1)N.C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].[Sb+3].[Sb+3]
Structure:

CAS RN: 1289-56-1
CAS Name: acetic acid [(2R,3R,4S,6S)-6-[[(2R,3S,4S,6S)-6-[[(2R,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-16-acetyl-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl
OPENEYE Name: [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-16-acetyl-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-tetrahydropyr
IUPAC Name: [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-16-acetyl-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-
SYSTEMATIC NAME: [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-16-ethanoyl-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxidanyl
MOLECULAR FORMULA: C45H68O15
MOLECULAR WEIGHT: 849.01242
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)OC3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC([C@@H]7C8=CC(=O)OC8)C(=O)C)O)C)C)C)C)OC(=O)C)O
Structure:

CAS RN: 1282-43-5
CAS Name: cyclopenta-1,3-diene; 5-methylcyclopenta-1,3-diene; titanium(4+); dichloride
OPENEYE Name: cyclopenta-1,3-diene; 5-methylcyclopenta-1,3-diene; titanium(4+); dichloride
IUPAC Name: cyclopenta-1,3-diene; 5-methylcyclopenta-1,3-diene; titanium(4+); dichloride
SYSTEMATIC NAME: cyclopenta-1,3-diene; 5-methylcyclopenta-1,3-diene; titanium(4+); dichloride
MOLECULAR FORMULA: C11H12Cl2Ti
MOLECULAR WEIGHT: 262.98598
SMILES: C[C-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+4]
Structure:

CAS RN: 1282-40-2
CAS Name: 5-methylcyclopenta-1,3-diene; titanium(4+); dichloride
OPENEYE Name: 5-methylcyclopenta-1,3-diene; titanium(4+); dichloride
IUPAC Name: 5-methylcyclopenta-1,3-diene; titanium(4+); dichloride
SYSTEMATIC NAME: 5-methylcyclopenta-1,3-diene; titanium(4+); dichloride
MOLECULAR FORMULA: C12H14Cl2Ti
MOLECULAR WEIGHT: 277.01256
SMILES: C[C-]1C=CC=C1.C[C-]1C=CC=C1.[Cl-].[Cl-].[Ti+4]
Structure:

CAS RN: 1229-66-9
CAS Name: 1-(2,2-diphenylethyl)-2-fluorobenzene
OPENEYE Name: 1-(2,2-diphenylethyl)-2-fluoro-benzene
IUPAC Name: 1-(2,2-diphenylethyl)-2-fluorobenzene
SYSTEMATIC NAME: 1-(2,2-diphenylethyl)-2-fluoranyl-benzene
MOLECULAR FORMULA: C20H17F
MOLECULAR WEIGHT: 276.347383
SMILES: C1=CC=C(C=C1)C(CC2=CC=CC=C2F)C3=CC=CC=C3
Structure:

CAS RN: 1224-56-2
CAS Name: tributyl-(phenylmethyl)phosphonium chloride
OPENEYE Name: benzyl(tributyl)phosphonium chloride
IUPAC Name: benzyl(tributyl)phosphanium chloride
SYSTEMATIC NAME: tributyl-(phenylmethyl)phosphanium chloride
MOLECULAR FORMULA: C19H34ClP
MOLECULAR WEIGHT: 328.900021
SMILES: CCCC[P+](CCCC)(CCCC)CC1=CC=CC=C1.[Cl-]
Structure:

CAS RN: 1198-26-1
CAS Name: 5-(hydroxymethyl)-4-(mercaptomethyl)-2-methyl-3-pyridinol hydrochloride
OPENEYE Name: 5-(hydroxymethyl)-2-methyl-4-(sulfanylmethyl)pyridin-3-ol hydrochloride
IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-(sulfanylmethyl)pyridin-3-ol hydrochloride
SYSTEMATIC NAME: 5-(hydroxymethyl)-2-methyl-4-(sulfanylmethyl)pyridin-3-ol hydrochloride
MOLECULAR FORMULA: C8H12ClNO2S
MOLECULAR WEIGHT: 221.70438
SMILES: CC1=NC=C(C(=C1O)CS)CO.Cl
Structure:

CAS RN: 1178-99-0
CAS Name: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C29H34ClNO2
MOLECULAR WEIGHT: 464.03876
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CCC3=C2C=CC(=C3)OC)C4=CC=CC=C4.Cl
Structure:

CAS RN: 1176-76-7
CAS Name: N,N-diethyl-2-[4-(2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-[4-(2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-[4-(2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[4-(2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C28H32ClNO
MOLECULAR WEIGHT: 434.01278
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CCC3=CC=CC=C32)C4=CC=CC=C4.Cl
Structure:

CAS RN: 1176-75-6
CAS Name: N,N-diethyl-2-[4-(2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine
OPENEYE Name: N,N-diethyl-2-[4-(2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine
IUPAC Name: N,N-diethyl-2-[4-(2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-[4-(2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine
MOLECULAR FORMULA: C28H31NO
MOLECULAR WEIGHT: 397.55184
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CCC3=CC=CC=C32)C4=CC=CC=C4
Structure:

CAS RN: 1166-82-1
CAS Name: N-[2-(diethylamino)ethyl]-2-hydroxy-N-methyl-2,2-diphenylacetamide hydrochloride
OPENEYE Name: N-[2-(diethylamino)ethyl]-2-hydroxy-N-methyl-2,2-diphenyl-acetamide hydrochloride
IUPAC Name: N-[2-(diethylamino)ethyl]-2-hydroxy-N-methyl-2,2-diphenylacetamide hydrochloride
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-N-methyl-2-oxidanyl-2,2-diphenyl-ethanamide hydrochloride
MOLECULAR FORMULA: C21H29ClN2O2
MOLECULAR WEIGHT: 376.92016
SMILES: CCN(CC)CCN(C)C(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl
Structure:

CAS RN: 1162-60-3
CAS Name: (7R,8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (7R,8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (7R,8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (7R,8R,9S,10R,13S,14S)-17-ethynyl-7,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CCC([C@]4(CC3)C)(C#C)O
Structure:

CAS RN: 1150-41-0
CAS Name: 2-(1-methyl-3-benzo[f]quinazolinyl)guanidine hydrochloride
OPENEYE Name: 2-(1-methylbenzo[f]quinazolin-3-yl)guanidine hydrochloride
IUPAC Name: 2-(1-methylbenzo[f]quinazolin-3-yl)guanidine hydrochloride
SYSTEMATIC NAME: 2-(1-methylbenzo[f]quinazolin-3-yl)guanidine hydrochloride
MOLECULAR FORMULA: C14H14ClN5
MOLECULAR WEIGHT: 287.74746
SMILES: CC1=NC(=NC2=C1C3=CC=CC=C3C=C2)N=C(N)N.Cl
Structure:

CAS RN: 1112-77-2
CAS Name: diethyl-(2-hydroxyethyl)-methylammonium iodide
OPENEYE Name: diethyl-(2-hydroxyethyl)-methyl-ammonium iodide
IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium iodide
SYSTEMATIC NAME: diethyl-(2-hydroxyethyl)-methyl-azanium iodide
MOLECULAR FORMULA: C7H18INO
MOLECULAR WEIGHT: 259.12839
SMILES: CC[N+](C)(CC)CCO.[I-]
Structure:

CAS RN: 1089-91-4
CAS Name: 2-amino-3,8-dihydroxy-4-(hydroxymethyl)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-5,6-dione
OPENEYE Name: 2-amino-3,8-dihydroxy-4-(hydroxymethyl)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-5,6-dione
IUPAC Name: 2-amino-3,8-dihydroxy-4-(hydroxymethyl)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-5,6-dione
SYSTEMATIC NAME: 2-azanyl-4-(hydroxymethyl)-7-methyl-3,8-bis(oxidanyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole-5,6-dione
MOLECULAR FORMULA: C13H14N2O5
MOLECULAR WEIGHT: 278.26066
SMILES: CC1=C(C2=C(C(=C3N2CC(C3O)N)CO)C(=O)C1=O)O
Structure:

CAS RN: 18462-96-9
CAS Name: 2-amino-3,8-dihydroxy-4-(hydroxymethyl)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-5,6-dione
OPENEYE Name: 2-amino-3,8-dihydroxy-4-(hydroxymethyl)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-5,6-dione
IUPAC Name: 2-amino-3,8-dihydroxy-4-(hydroxymethyl)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-5,6-dione
SYSTEMATIC NAME: 2-azanyl-4-(hydroxymethyl)-7-methyl-3,8-bis(oxidanyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole-5,6-dione
MOLECULAR FORMULA: C13H14N2O5
MOLECULAR WEIGHT: 278.26066
SMILES: CC1=C(C2=C(C(=C3N2CC(C3O)N)CO)C(=O)C1=O)O
Structure:

CAS RN: 1071-37-0
CAS Name: carbamimidothioic acid ethyl ester hydrobromide
OPENEYE Name: 2-ethylisothiourea hydrobromide
IUPAC Name: ethyl carbamimidothioate hydrobromide
SYSTEMATIC NAME: ethyl carbamimidothioate hydrobromide
MOLECULAR FORMULA: C3H9BrN2S
MOLECULAR WEIGHT: 185.08596
SMILES: CCSC(=N)N.Br
Structure:

CAS RN: 2986-20-1
CAS Name: carbamimidothioic acid ethyl ester hydrobromide
OPENEYE Name: 2-ethylisothiourea hydrobromide
IUPAC Name: ethyl carbamimidothioate hydrobromide
SYSTEMATIC NAME: ethyl carbamimidothioate hydrobromide
MOLECULAR FORMULA: C3H9BrN2S
MOLECULAR WEIGHT: 185.08596
SMILES: CCSC(=N)N.Br
Structure:

CAS RN: 133514-72-4
CAS Name: carbamimidothioic acid ethyl ester hydrobromide
OPENEYE Name: 2-ethylisothiourea hydrobromide
IUPAC Name: ethyl carbamimidothioate hydrobromide
SYSTEMATIC NAME: ethyl carbamimidothioate hydrobromide
MOLECULAR FORMULA: C3H9BrN2S
MOLECULAR WEIGHT: 185.08596
SMILES: CCSC(=N)N.Br
Structure:

CAS RN: 1061-73-0
CAS Name: 2-[4-(5,6-dimethoxy-2-phenyl-3H-inden-1-yl)phenoxy]-N,N-diethylethanamine hydrochloride
OPENEYE Name: 2-[4-(5,6-dimethoxy-2-phenyl-3H-inden-1-yl)phenoxy]-N,N-diethyl-ethanamine hydrochloride
IUPAC Name: 2-[4-(5,6-dimethoxy-2-phenyl-3H-inden-1-yl)phenoxy]-N,N-diethylethanamine hydrochloride
SYSTEMATIC NAME: 2-[4-(5,6-dimethoxy-2-phenyl-3H-inden-1-yl)phenoxy]-N,N-diethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C29H34ClNO3
MOLECULAR WEIGHT: 480.03816
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4.Cl
Structure: