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:
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