Saturday, March 31, 2012

http://ChemLookup.com Compounds




CAS RN: 5793-44-2
CAS Name: 4-[3-[[methylamino(sulfanylidene)methyl]-[2-(4-sulfamoylphenyl)ethyl]amino]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[3-[methylcarbamothioyl-[2-(4-sulfamoylphenyl)ethyl]amino]-2,5-dioxo-pyrrolidin-1-yl]benzoate
IUPAC Name: methyl 4-[3-[methylcarbamothioyl-[2-(4-sulfamoylphenyl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate
SYSTEMATIC NAME: methyl 4-[3-[methylcarbamothioyl-[2-(4-sulfamoylphenyl)ethyl]amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C22H24N4O6S2
MOLECULAR WEIGHT: 504.57916
SMILES: CNC(=S)N(CCC1=CC=C(C=C1)S(=O)(=O)N)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC
Structure:

CAS RN: 5793-00-0
CAS Name: N-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1-(3-nitrophenyl)methanimine hydrochloride
OPENEYE Name: N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(3-nitrophenyl)methanimine hydrochloride
IUPAC Name: N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(3-nitrophenyl)methanimine hydrochloride
SYSTEMATIC NAME: N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(3-nitrophenyl)methanimine hydrochloride
MOLECULAR FORMULA: C18H20Cl2N4O2
MOLECULAR WEIGHT: 395.283
SMILES: C1CN(CCN1CC2=CC=CC=C2Cl)N=CC3=CC(=CC=C3)[N+](=O)[O-].Cl
Structure:

CAS RN: 5792-98-3
CAS Name: N-[4-(phenylmethyl)-1-piperazinyl]-1-pyridin-4-ylmethanimine hydrochloride
OPENEYE Name: N-(4-benzylpiperazin-1-yl)-1-(4-pyridyl)methanimine hydrochloride
IUPAC Name: N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine hydrochloride
SYSTEMATIC NAME: N-[4-(phenylmethyl)piperazin-1-yl]-1-pyridin-4-yl-methanimine hydrochloride
MOLECULAR FORMULA: C17H21ClN4
MOLECULAR WEIGHT: 316.82844
SMILES: C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC=NC=C3.Cl
Structure:

CAS RN: 5792-72-3
CAS Name: (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
OPENEYE Name: (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
IUPAC Name: (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
SYSTEMATIC NAME: (2-chlorophenyl)-(3-methyl-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl)methanone
MOLECULAR FORMULA: C17H15ClN2O2
MOLECULAR WEIGHT: 314.7662
SMILES: CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3Cl
Structure:

CAS RN: 5792-69-8
CAS Name: 7-(2-chlorophenyl)-4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
OPENEYE Name: methyl 7-(2-chlorophenyl)-4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: methyl 7-(2-chlorophenyl)-4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl 7-(2-chlorophenyl)-4-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C24H21Cl2NO3
MOLECULAR WEIGHT: 442.33444
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl)C(=O)OC
Structure:

CAS RN: 5792-65-4
CAS Name: 2-(4-aminophenyl)-3-pyridinol hydrochloride
OPENEYE Name: 2-(4-aminophenyl)pyridin-3-ol hydrochloride
IUPAC Name: 2-(4-aminophenyl)pyridin-3-ol hydrochloride
SYSTEMATIC NAME: 2-(4-aminophenyl)pyridin-3-ol hydrochloride
MOLECULAR FORMULA: C11H11ClN2O
MOLECULAR WEIGHT: 222.67084
SMILES: C1=CC(=C(N=C1)C2=CC=C(C=C2)N)O.Cl
Structure:

CAS RN: 5792-33-6
CAS Name: 4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-methyl-5-oxo-2-pyrrolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-methyl-5-oxo-pyrrole-2-carboxylate
IUPAC Name: ethyl 4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-methyl-5-oxopyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 1-(4-ethoxyphenyl)-4-[(4-ethoxyphenyl)amino]-2-methyl-5-oxidanylidene-pyrrole-2-carboxylate
MOLECULAR FORMULA: C24H28N2O5
MOLECULAR WEIGHT: 424.48952
SMILES: CCOC1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=C(C=C3)OCC)(C)C(=O)OCC
Structure:

CAS RN: 5791-86-6
CAS Name: 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-cyclohexane-1,3-dicarboxylate
IUPAC Name: dimethyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-methyl-2-(3-nitrophenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate
MOLECULAR FORMULA: C17H19NO8
MOLECULAR WEIGHT: 365.33466
SMILES: CC1(CC(=O)C(C(C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)O
Structure:

CAS RN: 5791-84-4
CAS Name: 2-[2-imino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazolyl]-1-(4-methoxyphenyl)ethanol hydrochloride
OPENEYE Name: 2-[2-imino-3-[2-(1-piperidyl)ethyl]benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanol hydrochloride
IUPAC Name: 2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanol hydrochloride
SYSTEMATIC NAME: 2-[2-azanylidene-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanol hydrochloride
MOLECULAR FORMULA: C23H31ClN4O2
MOLECULAR WEIGHT: 430.97084
SMILES: COC1=CC=C(C=C1)C(CN2C3=CC=CC=C3N(C2=N)CCN4CCCCC4)O.Cl
Structure:

CAS RN: 5791-40-2
CAS Name: 7-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7-(4-chlorophenyl)-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 7-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C26H26ClNO5
MOLECULAR WEIGHT: 467.94134
SMILES: CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
Structure:

CAS RN: 15830-55-4
CAS Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7H-purine-8-thione
OPENEYE Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7H-purine-8-thione
IUPAC Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
SYSTEMATIC NAME: 6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7H-purine-8-thione
MOLECULAR FORMULA: C10H13N5O4S
MOLECULAR WEIGHT: 299.30632
SMILES: C1=NC2=C(C(=N1)N)NC(=S)N2C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 15830-61-2
CAS Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7H-purine-8-thione
OPENEYE Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7H-purine-8-thione
IUPAC Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
SYSTEMATIC NAME: 6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7H-purine-8-thione
MOLECULAR FORMULA: C10H13N5O4S
MOLECULAR WEIGHT: 299.30632
SMILES: C1=NC2=C(C(=N1)N)NC(=S)N2C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 3001-45-4
CAS Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7H-purine-8-thione
OPENEYE Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7H-purine-8-thione
IUPAC Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
SYSTEMATIC NAME: 6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7H-purine-8-thione
MOLECULAR FORMULA: C10H13N5O4S
MOLECULAR WEIGHT: 299.30632
SMILES: C1=NC2=C(C(=N1)N)NC(=S)N2C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 5790-56-7
CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester
OPENEYE Name: cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: cyclopentyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C24H28BrNO5
MOLECULAR WEIGHT: 490.38682
SMILES: CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OC4CCCC4)C)Br)O
Structure:

CAS RN: 5790-50-1
CAS Name: (2,4-difluorophenyl)-[4-(2-fluoro-4-nitrophenyl)-1-piperazinyl]methanone
OPENEYE Name: (2,4-difluorophenyl)-[4-(2-fluoro-4-nitro-phenyl)piperazin-1-yl]methanone
IUPAC Name: (2,4-difluorophenyl)-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: [2,4-bis(fluoranyl)phenyl]-[4-(2-fluoranyl-4-nitro-phenyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C17H14F3N3O3
MOLECULAR WEIGHT: 365.30657
SMILES: C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])F)C(=O)C3=C(C=C(C=C3)F)F
Structure:

CAS RN: 5790-41-0
CAS Name: 2,6-ditert-butyl-4-[(2,3-dimethoxyphenyl)methylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 2,6-ditert-butyl-4-[(2,3-dimethoxyphenyl)methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: 2,6-ditert-butyl-4-[(2,3-dimethoxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[(2,3-dimethoxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C23H30O3
MOLECULAR WEIGHT: 354.4825
SMILES: CC(C)(C)C1=CC(=CC2=C(C(=CC=C2)OC)OC)C=C(C1=O)C(C)(C)C
Structure:

CAS RN: 5790-26-1
CAS Name: 2,4-diacetyl-3-(4-fluorophenyl)-5-hydroxy-5-methyl-1-cyclohexanone
OPENEYE Name: 2,4-diacetyl-3-(4-fluorophenyl)-5-hydroxy-5-methyl-cyclohexanone
IUPAC Name: 2,4-diacetyl-3-(4-fluorophenyl)-5-hydroxy-5-methylcyclohexan-1-one
SYSTEMATIC NAME: 2,4-diethanoyl-3-(4-fluorophenyl)-5-methyl-5-oxidanyl-cyclohexan-1-one
MOLECULAR FORMULA: C17H19FO4
MOLECULAR WEIGHT: 306.328763
SMILES: CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)F
Structure:

CAS RN: 5790-13-6
CAS Name: 1-(2-chlorophenyl)-5-(4-chlorophenyl)-1,2,4-triazole
OPENEYE Name: 1-(2-chlorophenyl)-5-(4-chlorophenyl)-1,2,4-triazole
IUPAC Name: 1-(2-chlorophenyl)-5-(4-chlorophenyl)-1,2,4-triazole
SYSTEMATIC NAME: 1-(2-chlorophenyl)-5-(4-chlorophenyl)-1,2,4-triazole
MOLECULAR FORMULA: C14H9Cl2N3
MOLECULAR WEIGHT: 290.14736
SMILES: C1=CC=C(C(=C1)N2C(=NC=N2)C3=CC=C(C=C3)Cl)Cl
Structure:

CAS RN: 145510-86-7
CAS Name: 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
OPENEYE Name: 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
IUPAC Name: 2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
SYSTEMATIC NAME: 2-(5-oxidanylidene-1,2-diphenyl-4-phenylazanyl-2H-pyrrol-3-yl)ethanoic acid
MOLECULAR FORMULA: C24H20N2O3
MOLECULAR WEIGHT: 384.4272
SMILES: C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC=C3)NC4=CC=CC=C4)CC(=O)O
Structure:

CAS RN: 145510-84-5
CAS Name: 2-[4-anilino-2-(4-bromophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
OPENEYE Name: 2-[4-anilino-2-(4-bromophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
IUPAC Name: 2-[4-anilino-2-(4-bromophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(4-bromophenyl)-5-oxidanylidene-1-phenyl-4-phenylazanyl-2H-pyrrol-3-yl]ethanoic acid
MOLECULAR FORMULA: C24H19BrN2O3
MOLECULAR WEIGHT: 463.32326
SMILES: C1=CC=C(C=C1)NC2=C(C(N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br)CC(=O)O
Structure:

CAS RN: 5789-54-8
CAS Name: 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine
OPENEYE Name: 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine
IUPAC Name: 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine
SYSTEMATIC NAME: 4-(7-bromanyl-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine
MOLECULAR FORMULA: C10H9BrN4O3S
MOLECULAR WEIGHT: 345.17246
SMILES: C1COCCN1C2=C(C=C(C3=NSN=C23)Br)[N+](=O)[O-]
Structure:

CAS RN: 5789-41-3
CAS Name: 2-[(2-methoxy-4-nitroanilino)methylidene]indene-1,3-dione
OPENEYE Name: 2-[(2-methoxy-4-nitro-anilino)methylene]indane-1,3-dione
IUPAC Name: 2-[(2-methoxy-4-nitroanilino)methylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[[(2-methoxy-4-nitro-phenyl)amino]methylidene]indene-1,3-dione
MOLECULAR FORMULA: C17H12N2O5
MOLECULAR WEIGHT: 324.28758
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])NC=C2C(=O)C3=CC=CC=C3C2=O
Structure:

CAS RN: 5789-40-2
CAS Name: 3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
OPENEYE Name: 3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
IUPAC Name: 3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
SYSTEMATIC NAME: 3-ethanoyl-4-oxidanyl-1,2-diphenyl-2H-pyrrol-5-one
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)C3=CC=CC=C3)O
Structure:

CAS RN: 5789-11-7
CAS Name: 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
OPENEYE Name: 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
IUPAC Name: 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
SYSTEMATIC NAME: 2-[3-ethanoyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethanoic acid
MOLECULAR FORMULA: C14H12N2O7
MOLECULAR WEIGHT: 320.25428
SMILES: CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O)O
Structure:

CAS RN: 5788-57-8
CAS Name: 3-amino-3-(4-bromophenyl)propanoic acid hydrochloride
OPENEYE Name: 3-amino-3-(4-bromophenyl)propanoic acid hydrochloride
IUPAC Name: 3-amino-3-(4-bromophenyl)propanoic acid hydrochloride
SYSTEMATIC NAME: 3-azanyl-3-(4-bromophenyl)propanoic acid hydrochloride
MOLECULAR FORMULA: C9H11BrClNO2
MOLECULAR WEIGHT: 280.54614
SMILES: C1=CC(=CC=C1C(CC(=O)O)N)Br.Cl
Structure:

CAS RN: 5788-36-3
CAS Name: 6-methyl-4-[4-(methylthio)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
OPENEYE Name: methyl 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: methyl 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 6-methyl-4-(4-methylsulfanylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C14H16N2O3S
MOLECULAR WEIGHT: 292.35344
SMILES: CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)SC)C(=O)OC
Structure:

CAS RN: 5788-31-8
CAS Name: 2,6-ditert-butyl-4-[(3,4-dimethoxyphenyl)methylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 2,6-ditert-butyl-4-[(3,4-dimethoxyphenyl)methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: 2,6-ditert-butyl-4-[(3,4-dimethoxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[(3,4-dimethoxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C23H30O3
MOLECULAR WEIGHT: 354.4825
SMILES: CC(C)(C)C1=CC(=CC2=CC(=C(C=C2)OC)OC)C=C(C1=O)C(C)(C)C
Structure:

CAS RN: 5788-28-3
CAS Name: 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
OPENEYE Name: 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
IUPAC Name: 6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
SYSTEMATIC NAME: 6-(4-fluorophenyl)-9,9-dimethyl-7-oxidanylidene-N-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
MOLECULAR FORMULA: C28H26FN3OS
MOLECULAR WEIGHT: 471.588943
SMILES: CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)F)C(=O)C1)C
Structure:

CAS RN: 330838-91-0
CAS Name: 4-amino-N-[(2,4-dichlorophenyl)methoxy]-N'-(2-methoxyphenyl)-1,2,5-oxadiazole-3-carboximidamide
OPENEYE Name: 4-amino-N-[(2,4-dichlorophenyl)methoxy]-N'-(2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamidine
IUPAC Name: 4-amino-N-[(2,4-dichlorophenyl)methoxy]-N'-(2-methoxyphenyl)-1,2,5-oxadiazole-3-carboximidamide
SYSTEMATIC NAME: 4-azanyl-N-[(2,4-dichlorophenyl)methoxy]-N'-(2-methoxyphenyl)-1,2,5-oxadiazole-3-carboximidamide
MOLECULAR FORMULA: C17H15Cl2N5O3
MOLECULAR WEIGHT: 408.2387
SMILES: COC1=CC=CC=C1N=C(C2=NON=C2N)NOCC3=C(C=C(C=C3)Cl)Cl
Structure:

CAS RN: 5787-75-7
CAS Name: 2-amino-5-[(3-carbamoyl-1-piperidinyl)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-5-(3-carbamoylpiperidine-1-carbonyl)-4-methyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-5-(3-carbamoylpiperidine-1-carbonyl)-4-methylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 5-(3-aminocarbonylpiperidin-1-yl)carbonyl-2-azanyl-4-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C15H21N3O4S
MOLECULAR WEIGHT: 339.40994
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCC(C2)C(=O)N)N
Structure:

CAS RN: 64670-39-9
CAS Name: 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate
IUPAC Name: diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
SYSTEMATIC NAME: diethyl 2-(3,4-dimethoxyphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate
MOLECULAR FORMULA: C21H28O8
MOLECULAR WEIGHT: 408.44222
SMILES: CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)OC)OC
Structure:

CAS RN: 96543-90-7
CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(diethylamino)-1-propanone hydrochloride
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-3-(diethylamino)propan-1-one hydrochloride
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(diethylamino)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-3-(diethylamino)propan-1-one hydrochloride
MOLECULAR FORMULA: C14H20ClNO3
MOLECULAR WEIGHT: 285.7665
SMILES: CCN(CC)CCC(=O)C1=CC2=C(C=C1)OCO2.Cl
Structure:

CAS RN: 35920-39-9
CAS Name: 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide
OPENEYE Name: 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
IUPAC Name: 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
MOLECULAR FORMULA: C12H16N6O4
MOLECULAR WEIGHT: 308.29324
SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O
Structure:

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