Sunday, January 22, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 2-[benzyl-(4-nitrophenyl)sulfonyl-amino]-2-methyl-propanoate
CAS Name: 2-methyl-2-[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]propanoic acid ethyl ester
IUPAC NAME: ethyl 2-[benzyl-(4-nitrophenyl)sulfonylamino]-2-methylpropanoate
SYSTEMATIC NAME: ethyl 2-methyl-2-[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]propanoate
MOLECULAR FORMULA: C19H22N2O6S
MOLECULAR WEIGHT: 406.45278
SMILES: CCOC(=O)C(C)(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2,4-dimethoxyphenyl)-2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
CAS Name: N-(2,4-dimethoxyphenyl)-2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetamide
IUPAC NAME: N-(2,4-dimethoxyphenyl)-2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(2,4-dimethoxyphenyl)-2-[[3-(3-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C27H24N4O5S
MOLECULAR WEIGHT: 516.56826
SMILES: COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53)OC
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Product OPENEYE NAME: 4-cyano-5-(2,2-dimethylpropanoylamino)-N,N-diethyl-3-methyl-thiophene-2-carboxamide
CAS Name: 4-cyano-5-[(2,2-dimethyl-1-oxopropyl)amino]-N,N-diethyl-3-methyl-2-thiophenecarboxamide
IUPAC NAME: 4-cyano-5-(2,2-dimethylpropanoylamino)-N,N-diethyl-3-methylthiophene-2-carboxamide
SYSTEMATIC NAME: 4-cyano-5-(2,2-dimethylpropanoylamino)-N,N-diethyl-3-methyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C16H23N3O2S
MOLECULAR WEIGHT: 321.43772
SMILES: CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C(C)(C)C)C#N)C
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Product OPENEYE NAME: 1-(4-benzhydrylpiperazin-1-yl)-3-methyl-butan-1-one
CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-methyl-1-butanone
IUPAC NAME: 1-(4-benzhydrylpiperazin-1-yl)-3-methylbutan-1-one
SYSTEMATIC NAME: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-butan-1-one
MOLECULAR FORMULA: C22H28N2O
MOLECULAR WEIGHT: 336.47052
SMILES: CC(C)CC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[1-(4-chlorophenyl)ethylideneamino]-3,4-dimethyl-benzamide
CAS Name: N-[1-(4-chlorophenyl)ethylideneamino]-3,4-dimethylbenzamide
IUPAC NAME: N-[1-(4-chlorophenyl)ethylideneamino]-3,4-dimethylbenzamide
SYSTEMATIC NAME: N-[1-(4-chlorophenyl)ethylideneamino]-3,4-dimethyl-benzamide
MOLECULAR FORMULA: C17H17ClN2O
MOLECULAR WEIGHT: 300.78268
SMILES: CC1=C(C=C(C=C1)C(=O)NN=C(C)C2=CC=C(C=C2)Cl)C
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Product OPENEYE NAME: 3-cyclopentyl-1-(2-ethyl-1-piperidyl)propan-1-one
CAS Name: 3-cyclopentyl-1-(2-ethyl-1-piperidinyl)-1-propanone
IUPAC NAME: 3-cyclopentyl-1-(2-ethylpiperidin-1-yl)propan-1-one
SYSTEMATIC NAME: 3-cyclopentyl-1-(2-ethylpiperidin-1-yl)propan-1-one
MOLECULAR FORMULA: C15H27NO
MOLECULAR WEIGHT: 237.38098
SMILES: CCC1CCCCN1C(=O)CCC2CCCC2
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Product OPENEYE NAME: N-(3-chloro-2-methyl-phenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CAS Name: N-(3-chloro-2-methylphenyl)-3-(3,4-dichlorophenyl)-2-propenamide
IUPAC NAME: N-(3-chloro-2-methylphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
SYSTEMATIC NAME: N-(3-chloranyl-2-methyl-phenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
MOLECULAR FORMULA: C16H12Cl3NO
MOLECULAR WEIGHT: 340.63158
SMILES: CC1=C(C=CC=C1Cl)NC(=O)C=CC2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 2-(2,4-dimethylphenyl)-N-(4-nitrophenyl)quinoline-4-carboxamide
CAS Name: 2-(2,4-dimethylphenyl)-N-(4-nitrophenyl)-4-quinolinecarboxamide
IUPAC NAME: 2-(2,4-dimethylphenyl)-N-(4-nitrophenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)-N-(4-nitrophenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C24H19N3O3
MOLECULAR WEIGHT: 397.42596
SMILES: CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C
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Product OPENEYE NAME: N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-4-(4-chloro-2-methyl-phenoxy)butanamide
CAS Name: 4-(4-chloro-2-methylphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]butanamide
IUPAC NAME: 4-(4-chloro-2-methylphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]butanamide
SYSTEMATIC NAME: 4-(4-chloranyl-2-methyl-phenoxy)-N-[(3-methoxy-4-phenylmethoxy-phenyl)methylideneamino]butanamide
MOLECULAR FORMULA: C26H27ClN2O4
MOLECULAR WEIGHT: 466.95658
SMILES: CC1=C(C=CC(=C1)Cl)OCCCC(=O)NN=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC
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Product OPENEYE NAME: 3-chloro-6-methyl-N-morpholino-benzothiophene-2-carboxamide
CAS Name: 3-chloro-6-methyl-N-(4-morpholinyl)-1-benzothiophene-2-carboxamide
IUPAC NAME: 3-chloro-6-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: 3-chloranyl-6-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C14H15ClN2O2S
MOLECULAR WEIGHT: 310.7991
SMILES: CC1=CC2=C(C=C1)C(=C(S2)C(=O)NN3CCOCC3)Cl
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Product OPENEYE NAME: methyl 2-[[2-(2-naphthyloxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS Name: 2-[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-(2-naphthalen-2-yloxyethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C23H23NO4S
MOLECULAR WEIGHT: 409.49802
SMILES: COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: 4-(4-chloro-2-methyl-phenoxy)-N-(4-chloro-3-nitro-phenyl)butanamide
CAS Name: 4-(4-chloro-2-methylphenoxy)-N-(4-chloro-3-nitrophenyl)butanamide
IUPAC NAME: 4-(4-chloro-2-methylphenoxy)-N-(4-chloro-3-nitrophenyl)butanamide
SYSTEMATIC NAME: 4-(4-chloranyl-2-methyl-phenoxy)-N-(4-chloranyl-3-nitro-phenyl)butanamide
MOLECULAR FORMULA: C17H16Cl2N2O4
MOLECULAR WEIGHT: 383.22594
SMILES: CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: N-[2-[3-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-2,6-difluoro-benzamide
CAS Name: N-[2-[3-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]-1-indolyl]ethyl]-2,6-difluorobenzamide
IUPAC NAME: N-[2-[3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2,6-difluorobenzamide
SYSTEMATIC NAME: N-[2-[3-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-2,6-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C27H25F2N3O2S
MOLECULAR WEIGHT: 493.568106
SMILES: CC1=CC(=C(C=C1)C)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=C(C=CC=C4F)F
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Product OPENEYE NAME: 7-chloro-4-(3-chlorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CAS Name: 7-chloro-4-[(3-chlorophenyl)-oxomethyl]-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-chloro-4-(3-chlorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-4-(3-chlorophenyl)carbonyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C22H15Cl2FN2O2
MOLECULAR WEIGHT: 429.271103
SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)F
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Product OPENEYE NAME: N-[3-(acetamidocarbamoyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CAS Name: N-[3-[(acetylhydrazo)-oxomethyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
IUPAC NAME: N-[3-(acetamidocarbamoyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SYSTEMATIC NAME: N-[3-(acetamidocarbamoyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
MOLECULAR FORMULA: C25H27N5O5S2
MOLECULAR WEIGHT: 541.64238
SMILES: CC(=O)NNC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4
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