Wednesday, February 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[(4-benzyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
CAS Name: N-[[4-(phenylmethyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide
IUPAC NAME: N-[(4-benzyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
SYSTEMATIC NAME: N-[[4-(phenylmethyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
MOLECULAR FORMULA: C24H32N4OS
MOLECULAR WEIGHT: 424.60208
SMILES: CCCSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4
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Product OPENEYE NAME: N-(o-tolyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CAS Name: N-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
IUPAC NAME: N-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
SYSTEMATIC NAME: N-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
MOLECULAR FORMULA: C24H27N3O3S
MOLECULAR WEIGHT: 437.55448
SMILES: CC1=CC=CC=C1NC(=S)N2CCN3C=CC=C3C2C4=CC(=C(C(=C4)OC)OC)OC
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Product OPENEYE NAME: methyl 4-[[2-(2-fluorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
CAS Name: 4-[[2-[(2-fluorophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[2-(2-fluorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
SYSTEMATIC NAME: methyl 4-[[2-(2-fluorophenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
MOLECULAR FORMULA: C27H26FNO6
MOLECULAR WEIGHT: 479.496843
SMILES: COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=CC=C3F)COC4=CC=C(C=C4)C(=O)OC)OC
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Product OPENEYE NAME: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidyl)sulfonyl]benzamide
CAS Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide
IUPAC NAME: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SYSTEMATIC NAME: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide
MOLECULAR FORMULA: C22H25N3O3S2
MOLECULAR WEIGHT: 443.5822
SMILES: CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(C=CC=C4S3)C)C
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Product OPENEYE NAME: 2-(2-ethylhexylcarbamoyl)cyclohexanecarboxylic acid
CAS Name: 2-[(2-ethylhexylamino)-oxomethyl]-1-cyclohexanecarboxylic acid
IUPAC NAME: 2-(2-ethylhexylcarbamoyl)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 2-(2-ethylhexylcarbamoyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C16H29NO3
MOLECULAR WEIGHT: 283.40636
SMILES: CCCCC(CC)CNC(=O)C1CCCCC1C(=O)O
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Product OPENEYE NAME: N,2-bis(2,4-dimethylphenyl)quinoline-4-carboxamide
CAS Name: N,2-bis(2,4-dimethylphenyl)-4-quinolinecarboxamide
IUPAC NAME: N,2-bis(2,4-dimethylphenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: N,2-bis(2,4-dimethylphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C26H24N2O
MOLECULAR WEIGHT: 380.48156
SMILES: CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)C)C)C
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Product OPENEYE NAME: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-(2-fluorophenyl)methanone
IUPAC NAME: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SYSTEMATIC NAME: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
MOLECULAR FORMULA: C19H21FN2O2
MOLECULAR WEIGHT: 328.380643
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(m-tolyl)quinoline-4-carboxamide
CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)-4-quinolinecarboxamide
IUPAC NAME: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C26H23N3O2S
MOLECULAR WEIGHT: 441.54472
SMILES: CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N
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Product OPENEYE NAME: N-(5-methyl-4-phenyl-thiazol-2-yl)-2-(o-tolyl)quinoline-4-carboxamide
CAS Name: 2-(2-methylphenyl)-N-(5-methyl-4-phenyl-2-thiazolyl)-4-quinolinecarboxamide
IUPAC NAME: 2-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
MOLECULAR FORMULA: C27H21N3OS
MOLECULAR WEIGHT: 435.54014
SMILES: CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=C(S4)C)C5=CC=CC=C5
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Product OPENEYE NAME: 2-bromo-N-(cyclooctylideneamino)benzamide
CAS Name: 2-bromo-N-(cyclooctylideneamino)benzamide
IUPAC NAME: 2-bromo-N-(cyclooctylideneamino)benzamide
SYSTEMATIC NAME: 2-bromanyl-N-(cyclooctylideneamino)benzamide
MOLECULAR FORMULA: C15H19BrN2O
MOLECULAR WEIGHT: 323.22816
SMILES: C1CCCC(=NNC(=O)C2=CC=CC=C2Br)CCC1
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