Saturday, September 29, 2012

http://ChemLookup.com Compounds




CAS RN: 5804-06-8
CAS Name: 2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid; 3-(ethoxymethyl)-4-octoxyaniline
OPENEYE Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 3-(ethoxymethyl)-4-octoxy-aniline
IUPAC Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 3-(ethoxymethyl)-4-octoxyaniline
SYSTEMATIC NAME: 2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid; 3-(ethoxymethyl)-4-octoxy-aniline
MOLECULAR FORMULA: C37H47NO10
MOLECULAR WEIGHT: 665.76978
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)COCC.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
Structure:

CAS RN: 5804-05-7
CAS Name: 3-(methoxymethyl)-4-octoxyaniline hydrochloride
OPENEYE Name: 3-(methoxymethyl)-4-octoxy-aniline hydrochloride
IUPAC Name: 3-(methoxymethyl)-4-octoxyaniline hydrochloride
SYSTEMATIC NAME: 3-(methoxymethyl)-4-octoxy-aniline hydrochloride
MOLECULAR FORMULA: C16H28ClNO2
MOLECULAR WEIGHT: 301.85202
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)COC.Cl
Structure:

CAS RN: 5801-12-7
CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-N,N'-dimethyl-N'-(2-pyridinyl)ethane-1,2-diamine hydrochloride
OPENEYE Name: N-[(5-bromo-2-thienyl)methyl]-N,N'-dimethyl-N'-(2-pyridyl)ethane-1,2-diamine hydrochloride
IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-N,N'-dimethyl-N'-pyridin-2-ylethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N-[(5-bromanylthiophen-2-yl)methyl]-N,N'-dimethyl-N'-pyridin-2-yl-ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C14H19BrClN3S
MOLECULAR WEIGHT: 376.74276
SMILES: CN(CCN(C)C1=CC=CC=N1)CC2=CC=C(S2)Br.Cl
Structure:

CAS RN: 5798-15-2
CAS Name: 10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride
OPENEYE Name: 10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride
IUPAC Name: 10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride
SYSTEMATIC NAME: 10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride
MOLECULAR FORMULA: C23H28Cl2F3N3S
MOLECULAR WEIGHT: 506.45473
SMILES: CN1CC2CCC(C1)N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F.Cl.Cl
Structure:

CAS RN: 6884-54-4
CAS Name: 2-[8-[3-(10-phenothiazinyl)propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol
OPENEYE Name: 2-[8-(3-phenothiazin-10-ylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol
IUPAC Name: 2-[8-(3-phenothiazin-10-ylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol
SYSTEMATIC NAME: 2-[8-(3-phenothiazin-10-ylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol
MOLECULAR FORMULA: C23H29N3OS
MOLECULAR WEIGHT: 395.56086
SMILES: C1CC2CN(CC1N2CCCN3C4=CC=CC=C4SC5=CC=CC=C53)CCO
Structure:

CAS RN: 5798-14-1
CAS Name: 2-[8-[3-(10-phenothiazinyl)propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol dihydrochloride
OPENEYE Name: 2-[8-(3-phenothiazin-10-ylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol dihydrochloride
IUPAC Name: 2-[8-(3-phenothiazin-10-ylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol dihydrochloride
SYSTEMATIC NAME: 2-[8-(3-phenothiazin-10-ylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol dihydrochloride
MOLECULAR FORMULA: C23H31Cl2N3OS
MOLECULAR WEIGHT: 468.48274
SMILES: C1CC2CN(CC1N2CCCN3C4=CC=CC=C4SC5=CC=CC=C53)CCO.Cl.Cl
Structure:

CAS RN: 5798-13-0
CAS Name: 2-[8-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol dihydrochloride
OPENEYE Name: 2-[8-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol dihydrochloride
IUPAC Name: 2-[8-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol dihydrochloride
SYSTEMATIC NAME: 2-[8-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol dihydrochloride
MOLECULAR FORMULA: C24H30Cl2F3N3OS
MOLECULAR WEIGHT: 536.48071
SMILES: C1CC2CN(CC1N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F)CCO.Cl.Cl
Structure:

CAS RN: 5798-11-8
CAS Name: 2-chloro-10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]phenothiazine dihydrochloride
OPENEYE Name: 2-chloro-10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]phenothiazine dihydrochloride
IUPAC Name: 2-chloro-10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]phenothiazine dihydrochloride
SYSTEMATIC NAME: 2-chloranyl-10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]phenothiazine dihydrochloride
MOLECULAR FORMULA: C22H28Cl3N3S
MOLECULAR WEIGHT: 472.90182
SMILES: CN1CC2CCC(C1)N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl.Cl
Structure:

CAS RN: 5794-23-0
CAS Name: 1-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 1-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-piperidine-4-carboxylate hydrochloride
IUPAC Name: ethyl 1-[2-(2-hydroxyethoxy)ethyl]-4-phenylpiperidine-4-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 1-[2-(2-hydroxyethyloxy)ethyl]-4-phenyl-piperidine-4-carboxylate hydrochloride
MOLECULAR FORMULA: C18H28ClNO4
MOLECULAR WEIGHT: 357.87222
SMILES: CCOC(=O)C1(CCN(CC1)CCOCCO)C2=CC=CC=C2.Cl
Structure:

CAS RN: 5790-40-9
CAS Name: 1-(5-methyl-2-propan-2-ylphenoxy)-3-(propan-2-ylamino)-2-propanol hydrochloride
OPENEYE Name: 1-(isopropylamino)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol hydrochloride
IUPAC Name: 1-(5-methyl-2-propan-2-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(5-methyl-2-propan-2-yl-phenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
MOLECULAR FORMULA: C16H28ClNO2
MOLECULAR WEIGHT: 301.85202
SMILES: CC1=CC(=C(C=C1)C(C)C)OCC(CNC(C)C)O.Cl
Structure:

CAS RN: 5790-34-1
CAS Name: 1-(4-chlorophenoxy)-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: 1-(4-chlorophenoxy)-3-(isopropylamino)propan-2-ol
IUPAC Name: 1-(4-chlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: 1-(4-chloranylphenoxy)-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C12H18ClNO2
MOLECULAR WEIGHT: 243.72982
SMILES: CC(C)NCC(COC1=CC=C(C=C1)Cl)O
Structure:

CAS RN: 5787-06-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22INO4
MOLECULAR WEIGHT: 467.29745
SMILES: C[N+]1(CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3)C.[I-]
Structure:

CAS RN: 5786-60-7
CAS Name: 2-ethyl-4-(4-morpholinyl)-2-(1-naphthalenyl)butanoic acid hydrochloride
OPENEYE Name: 2-ethyl-4-morpholino-2-(1-naphthyl)butanoic acid hydrochloride
IUPAC Name: 2-ethyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanoic acid hydrochloride
SYSTEMATIC NAME: 2-ethyl-4-morpholin-4-yl-2-naphthalen-1-yl-butanoic acid hydrochloride
MOLECULAR FORMULA: C20H26ClNO3
MOLECULAR WEIGHT: 363.87834
SMILES: CCC(CCN1CCOCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O.Cl
Structure:

CAS RN: 5784-96-3
CAS Name: 4,5-bis(4-methoxyphenyl)-1H-pyrrole-2,3-dicarboxylic acid
OPENEYE Name: 4,5-bis(4-methoxyphenyl)-1H-pyrrole-2,3-dicarboxylic acid
IUPAC Name: 4,5-bis(4-methoxyphenyl)-1H-pyrrole-2,3-dicarboxylic acid
SYSTEMATIC NAME: 4,5-bis(4-methoxyphenyl)-1H-pyrrole-2,3-dicarboxylic acid
MOLECULAR FORMULA: C20H17NO6
MOLECULAR WEIGHT: 367.35208
SMILES: COC1=CC=C(C=C1)C2=C(NC(=C2C(=O)O)C(=O)O)C3=CC=C(C=C3)OC
Structure:

CAS RN: 5782-30-9
CAS Name: 4,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-pyrrole
OPENEYE Name: 4,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-pyrrole
IUPAC Name: 4,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-pyrrole
SYSTEMATIC NAME: 4,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-pyrrole
MOLECULAR FORMULA: C18H19NO2
MOLECULAR WEIGHT: 281.34896
SMILES: COC1=CC=C(C=C1)C2CCN=C2C3=CC=C(C=C3)OC
Structure:

CAS RN: 5781-48-6
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]benzene-1,2-diol
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-[[2-(1H-indol-3-yl)-1-methyl-ethyl]amino]ethyl]benzene-1,2-diol
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]benzene-1,2-diol
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 4-[2-[1-(1H-indol-3-yl)propan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C23H28N2O9
MOLECULAR WEIGHT: 476.47642
SMILES: CC(CC1=CNC2=CC=CC=C21)NCC(C3=CC(=C(C=C3)O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:

CAS RN: 5781-45-3
CAS Name: 4-nitrobenzoic acid 2-[bis[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]ethyl ester hydrochloride
OPENEYE Name: 2-[bis[2-[(1,1-dimethyl-2-phenyl-ethyl)-methyl-amino]-2-oxo-ethyl]amino]ethyl 4-nitrobenzoate hydrochloride
IUPAC Name: 2-[bis[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]ethyl 4-nitrobenzoate hydrochloride
SYSTEMATIC NAME: 2-[bis[2-[methyl-(2-methyl-1-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl 4-nitrobenzoate hydrochloride
MOLECULAR FORMULA: C35H45ClN4O6
MOLECULAR WEIGHT: 653.208
SMILES: CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)N(C)C(C)(C)CC3=CC=CC=C3.Cl
Structure:

CAS RN: 5775-97-3
CAS Name: 2,3-dimethyl-3,4-dihydropyrazole; 2,4,6-trinitrophenol
OPENEYE Name: 2,3-dimethyl-3,4-dihydropyrazole; picric acid
IUPAC Name: 2,3-dimethyl-3,4-dihydropyrazole; 2,4,6-trinitrophenol
SYSTEMATIC NAME: 2,3-dimethyl-3,4-dihydropyrazole; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C11H13N5O7
MOLECULAR WEIGHT: 327.25022
SMILES: CC1CC=NN1C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 5775-94-0
CAS Name: 1,3,4-trimethyl-6-pyrano[2,3-c]pyrazolone
OPENEYE Name: 1,3,4-trimethylpyrano[2,3-c]pyrazol-6-one
IUPAC Name: 1,3,4-trimethylpyrano[2,3-c]pyrazol-6-one
SYSTEMATIC NAME: 1,3,4-trimethylpyrano[2,3-c]pyrazol-6-one
MOLECULAR FORMULA: C9H10N2O2
MOLECULAR WEIGHT: 178.1879
SMILES: CC1=CC(=O)OC2=C1C(=NN2C)C
Structure:

CAS RN: 5774-39-0
CAS Name: N6-[bis(1-aziridinyl)phosphoryl]-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4,6-triamine
OPENEYE Name: N6-[bis(aziridin-1-yl)phosphoryl]-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4,6-triamine
IUPAC Name: 6-N-[bis(aziridin-1-yl)phosphoryl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: N6-[bis(aziridin-1-yl)phosphoryl]-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C11H21N8OP
MOLECULAR WEIGHT: 312.311201
SMILES: CN(C)C1=NC(=NC(=N1)NP(=O)(N2CC2)N3CC3)N(C)C
Structure:

CAS RN: 5769-08-4
CAS Name: 4-phenyl-1-cyclohexanamine hydrochloride
OPENEYE Name: 4-phenylcyclohexanamine hydrochloride
IUPAC Name: 4-phenylcyclohexan-1-amine hydrochloride
SYSTEMATIC NAME: 4-phenylcyclohexan-1-amine hydrochloride
MOLECULAR FORMULA: C12H18ClN
MOLECULAR WEIGHT: 211.73102
SMILES: C1CC(CCC1C2=CC=CC=C2)N.Cl
Structure:

CAS RN: 5767-43-1
CAS Name: 5-[[2-chloroethyl(2-fluoroethyl)amino]methyl]-1H-pyrimidine-2,4-dione hydrochloride
OPENEYE Name: 5-[[2-chloroethyl(2-fluoroethyl)amino]methyl]-1H-pyrimidine-2,4-dione hydrochloride
IUPAC Name: 5-[[2-chloroethyl(2-fluoroethyl)amino]methyl]-1H-pyrimidine-2,4-dione hydrochloride
SYSTEMATIC NAME: 5-[[2-chloroethyl(2-fluoranylethyl)amino]methyl]-1H-pyrimidine-2,4-dione hydrochloride
MOLECULAR FORMULA: C9H14Cl2FN3O2
MOLECULAR WEIGHT: 286.130763
SMILES: C1=C(C(=O)NC(=O)N1)CN(CCF)CCCl.Cl
Structure:

CAS RN: 5766-48-3
CAS Name: 1-(2-chloroethyl)-3-(diphenylmethyl)piperidine hydrochloride
OPENEYE Name: 3-benzhydryl-1-(2-chloroethyl)piperidine hydrochloride
IUPAC Name: 3-benzhydryl-1-(2-chloroethyl)piperidine hydrochloride
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(diphenylmethyl)piperidine hydrochloride
MOLECULAR FORMULA: C20H25Cl2N
MOLECULAR WEIGHT: 350.3252
SMILES: C1CC(CN(C1)CCCl)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:

CAS RN: 5754-55-2
CAS Name: 6-methoxy-1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
OPENEYE Name: 6-methoxy-1-(3-pyridyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
IUPAC Name: 6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SYSTEMATIC NAME: 6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
MOLECULAR FORMULA: C17H17N3O
MOLECULAR WEIGHT: 279.33638
SMILES: COC1=CC2=C(C=C1)NC3=C2CCNC3C4=CN=CC=C4
Structure:

CAS RN: 5752-37-4
CAS Name: N2,N2,N4,N4,N6,N6-hexakis[(ethylthio)methyl]-1,3,5-triazine-2,4,6-triamine
OPENEYE Name: N2,N2,N4,N4,N6,N6-hexakis(ethylsulfanylmethyl)-1,3,5-triazine-2,4,6-triamine
IUPAC Name: 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(ethylsulfanylmethyl)-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: N2,N2,N4,N4,N6,N6-hexakis(ethylsulfanylmethyl)-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C21H42N6S6
MOLECULAR WEIGHT: 570.98838
SMILES: CCSCN(CSCC)C1=NC(=NC(=N1)N(CSCC)CSCC)N(CSCC)CSCC
Structure:

CAS RN: 5741-51-5
CAS Name: 1-[2-(phenylmethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol hydrochloride
OPENEYE Name: 1-(2-benzylphenoxy)-3-(isopropylamino)propan-2-ol hydrochloride
IUPAC Name: 1-(2-benzylphenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-[2-(phenylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol hydrochloride
MOLECULAR FORMULA: C19H26ClNO2
MOLECULAR WEIGHT: 335.86824
SMILES: CC(C)NCC(COC1=CC=CC=C1CC2=CC=CC=C2)O.Cl
Structure:

CAS RN: 5736-87-8
CAS Name: 1-(4-propoxyphenyl)-1-propanone
OPENEYE Name: 1-(4-propoxyphenyl)propan-1-one
IUPAC Name: 1-(4-propoxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-(4-propoxyphenyl)propan-1-one
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CCCOC1=CC=C(C=C1)C(=O)CC
Structure:

CAS RN: 5735-31-9
CAS Name: ammonium 2-iodylbenzoate
OPENEYE Name: ammonium 2-iodylbenzoate
IUPAC Name: azanium 2-iodylbenzoate
SYSTEMATIC NAME: azanium 2-iodylbenzoate
MOLECULAR FORMULA: C7H8INO4
MOLECULAR WEIGHT: 297.04719
SMILES: C1=CC=C(C(=C1)C(=O)[O-])I(=O)=O.[NH4+]
Structure:

CAS RN: 5732-83-2
CAS Name: 2-cyclopentylpentanoic acid
OPENEYE Name: 2-cyclopentylpentanoic acid
IUPAC Name: 2-cyclopentylpentanoic acid
SYSTEMATIC NAME: 2-cyclopentylpentanoic acid
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCCC(C1CCCC1)C(=O)O
Structure:

CAS RN: 5724-15-2
CAS Name: trimethyl-(3-oxo-3-phenylpropyl)ammonium iodide
OPENEYE Name: trimethyl-(3-oxo-3-phenyl-propyl)ammonium iodide
IUPAC Name: trimethyl-(3-oxo-3-phenylpropyl)azanium iodide
SYSTEMATIC NAME: trimethyl-(3-oxidanylidene-3-phenyl-propyl)azanium iodide
MOLECULAR FORMULA: C12H18INO
MOLECULAR WEIGHT: 319.18189
SMILES: C[N+](C)(C)CCC(=O)C1=CC=CC=C1.[I-]
Structure:

CAS RN: 5721-94-8
CAS Name: 6-methoxy-1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
OPENEYE Name: 6-methoxy-1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
IUPAC Name: 6-methoxy-1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SYSTEMATIC NAME: 6-methoxy-1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: CCCC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC
Structure:

CAS RN: 5720-07-0
CAS Name: (4-methoxyphenyl)boronic acid
OPENEYE Name: (4-methoxyphenyl)boronic acid
IUPAC Name: (4-methoxyphenyl)boronic acid
SYSTEMATIC NAME: (4-methoxyphenyl)boronic acid
MOLECULAR FORMULA: C7H9BO3
MOLECULAR WEIGHT: 151.95556
SMILES: B(C1=CC=C(C=C1)OC)(O)O
Structure:

CAS RN: 5717-03-3
CAS Name: (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(1-sulfanylideneethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13S,14S,17S)-17-ethanethioyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-ethanethioyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,17S)-17-ethanethioyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30OS
MOLECULAR WEIGHT: 330.5273
SMILES: CC(=S)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
Structure:

CAS RN: 5716-33-6
CAS Name: N-acetyl-N-methylcarbamic acid [3-methyl-4-(methylthio)phenyl] ester
OPENEYE Name: (3-methyl-4-methylsulfanyl-phenyl) N-acetyl-N-methyl-carbamate
IUPAC Name: (3-methyl-4-methylsulfanylphenyl) N-acetyl-N-methylcarbamate
SYSTEMATIC NAME: (3-methyl-4-methylsulfanyl-phenyl) N-ethanoyl-N-methyl-carbamate
MOLECULAR FORMULA: C12H15NO3S
MOLECULAR WEIGHT: 253.3174
SMILES: CC1=C(C=CC(=C1)OC(=O)N(C)C(=O)C)SC
Structure:

CAS RN: 5712-95-8
CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-hydroxybenzamide
OPENEYE Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-hydroxy-benzamide
IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-hydroxybenzamide
SYSTEMATIC NAME: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C18H17N3O3
MOLECULAR WEIGHT: 323.34588
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3O
Structure:

CAS RN: 5712-25-4
CAS Name: (1R,8aS)-1-phenyl-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrochloride
OPENEYE Name: (1R,8aS)-1-phenyl-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrochloride
IUPAC Name: (1R,8aS)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrochloride
SYSTEMATIC NAME: (1R,8aS)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrochloride
MOLECULAR FORMULA: C13H17ClN2O
MOLECULAR WEIGHT: 252.73988
SMILES: C1CCN2[C@@H](C1)[C@H](OC2=N)C3=CC=CC=C3.Cl
Structure:

CAS RN: 5711-59-1
CAS Name: 5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
OPENEYE Name: 5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
IUPAC Name: 5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SYSTEMATIC NAME: 5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: COC1=CC=CC=C1C2=NN=C(O2)N
Structure:

CAS RN: 5700-94-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H44N2O9
MOLECULAR WEIGHT: 636.73186
SMILES: CCOC1=CC(=CC(=C1OC)OCC)C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC
Structure:

CAS RN: 5689-41-8
CAS Name: 1-[ethyl(methoxy)phosphoryl]ethane
OPENEYE Name: 1-[ethyl(methoxy)phosphoryl]ethane
IUPAC Name: 1-[ethyl(methoxy)phosphoryl]ethane
SYSTEMATIC NAME: 1-[ethyl(methoxy)phosphoryl]ethane
MOLECULAR FORMULA: C5H13O2P
MOLECULAR WEIGHT: 136.129281
SMILES: CCP(=O)(CC)OC
Structure:

CAS RN: 5688-09-5
CAS Name: 7-phenyl-2,6,8-trioxaspiro[3.5]nonane
OPENEYE Name: 7-phenyl-2,6,8-trioxaspiro[3.5]nonane
IUPAC Name: 7-phenyl-2,6,8-trioxaspiro[3.5]nonane
SYSTEMATIC NAME: 7-phenyl-2,6,8-trioxaspiro[3.5]nonane
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: C1C2(CO1)COC(OC2)C3=CC=CC=C3
Structure:

CAS RN: 5685-21-2
CAS Name: 3-methyl-1,3-diphenylpyrrolidine-2,5-dione
OPENEYE Name: 3-methyl-1,3-diphenyl-pyrrolidine-2,5-dione
IUPAC Name: 3-methyl-1,3-diphenylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-methyl-1,3-diphenyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: CC1(CC(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:

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