Thursday, November 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [[9-(2-thienylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] 4-fluorobenzoate
CAS Name: 4-fluorobenzoic acid [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] ester
IUPAC NAME: [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] 4-fluorobenzoate
SYSTEMATIC NAME: [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] 4-fluoranylbenzoate
MOLECULAR FORMULA: C20H21FN2O2S
MOLECULAR WEIGHT: 372.456343
SMILES: C1CC2CC(=NOC(=O)C3=CC=C(C=C3)F)CC(C1)N2CC4=CC=CS4
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Product OPENEYE NAME: N-[4-(trifluoromethoxy)phenyl]-4-[2-(trifluoromethyl)-4-quinolyl]piperazine-1-carboxamide
CAS Name: N-[4-(trifluoromethoxy)phenyl]-4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinecarboxamide
IUPAC NAME: N-[4-(trifluoromethoxy)phenyl]-4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-[4-(trifluoromethyloxy)phenyl]-4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
MOLECULAR FORMULA: C22H18F6N4O2
MOLECULAR WEIGHT: 484.394339
SMILES: C1CN(CCN1C2=CC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)NC4=CC=C(C=C4)OC(F)(F)F
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Product OPENEYE NAME: N-(3,5-dichlorophenyl)-4-[2-(trifluoromethyl)-4-quinolyl]piperazine-1-carboxamide
CAS Name: N-(3,5-dichlorophenyl)-4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinecarboxamide
IUPAC NAME: N-(3,5-dichlorophenyl)-4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-[3,5-bis(chloranyl)phenyl]-4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
MOLECULAR FORMULA: C21H17Cl2F3N4O
MOLECULAR WEIGHT: 469.28709
SMILES: C1CN(CCN1C2=CC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)NC4=CC(=CC(=C4)Cl)Cl
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Product OPENEYE NAME: [(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid [[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] ester
IUPAC NAME: [(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: [[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C22H24ClN3O2
MOLECULAR WEIGHT: 397.89786
SMILES: C1CC2CC(=NOC(=O)NC3=CC=C(C=C3)Cl)CC(C1)N2CC4=CC=CC=C4
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Product OPENEYE NAME: S-(4-chlorophenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carbothioate
CAS Name: 3-(methylthio)-1-phenyl-4-pyrazolecarbothioic acid S-(4-chlorophenyl) ester
IUPAC NAME: S-(4-chlorophenyl) 3-methylsulfanyl-1-phenylpyrazole-4-carbothioate
SYSTEMATIC NAME: S-(4-chlorophenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carbothioate
MOLECULAR FORMULA: C17H13ClN2OS2
MOLECULAR WEIGHT: 360.88092
SMILES: CSC1=NN(C=C1C(=O)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: S-(2-thienyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carbothioate
CAS Name: 3-(methylthio)-1-phenyl-4-pyrazolecarbothioic acid S-thiophen-2-yl ester
IUPAC NAME: S-thiophen-2-yl 3-methylsulfanyl-1-phenylpyrazole-4-carbothioate
SYSTEMATIC NAME: S-thiophen-2-yl 3-methylsulfanyl-1-phenyl-pyrazole-4-carbothioate
MOLECULAR FORMULA: C15H12N2OS3
MOLECULAR WEIGHT: 332.46358
SMILES: CSC1=NN(C=C1C(=O)SC2=CC=CS2)C3=CC=CC=C3
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Product OPENEYE NAME: S-(2-pyridyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carbothioate
CAS Name: 3-(methylthio)-1-phenyl-4-pyrazolecarbothioic acid S-(2-pyridinyl) ester
IUPAC NAME: S-pyridin-2-yl 3-methylsulfanyl-1-phenylpyrazole-4-carbothioate
SYSTEMATIC NAME: S-pyridin-2-yl 3-methylsulfanyl-1-phenyl-pyrazole-4-carbothioate
MOLECULAR FORMULA: C16H13N3OS2
MOLECULAR WEIGHT: 327.42392
SMILES: CSC1=NN(C=C1C(=O)SC2=CC=CC=N2)C3=CC=CC=C3
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Product OPENEYE NAME: (4-chlorophenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate
CAS Name: 3-(methylthio)-1-phenyl-4-pyrazolecarboxylic acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) 3-methylsulfanyl-1-phenylpyrazole-4-carboxylate
SYSTEMATIC NAME: (4-chlorophenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C17H13ClN2O2S
MOLECULAR WEIGHT: 344.81532
SMILES: CSC1=NN(C=C1C(=O)OC2=CC=C(C=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: (4-methoxyphenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate
CAS Name: 3-(methylthio)-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester
IUPAC NAME: (4-methoxyphenyl) 3-methylsulfanyl-1-phenylpyrazole-4-carboxylate
SYSTEMATIC NAME: (4-methoxyphenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C18H16N2O3S
MOLECULAR WEIGHT: 340.39624
SMILES: COC1=CC=C(C=C1)OC(=O)C2=CN(N=C2SC)C3=CC=CC=C3
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Product OPENEYE NAME: N-butyl-4-[2-(trifluoromethyl)-4-quinolyl]piperazine-1-carboxamide
CAS Name: N-butyl-4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinecarboxamide
IUPAC NAME: N-butyl-4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-butyl-4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
MOLECULAR FORMULA: C19H23F3N4O
MOLECULAR WEIGHT: 380.40733
SMILES: CCCCNC(=O)N1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C(F)(F)F
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Product OPENEYE NAME: methyl 4-[2-cyano-3-oxo-3-(2-thienyl)prop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS Name: 4-(2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4-(2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 4-(2-cyano-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C16H14N2O3S
MOLECULAR WEIGHT: 314.35896
SMILES: CC1=C(C(=C(N1)C)C(=O)OC)C=C(C#N)C(=O)C2=CC=CS2
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Product OPENEYE NAME: (3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-pyrrolidin-1-yl-methanone
CAS Name: [3-(methylthio)-1-phenyl-4-pyrazolyl]-(1-pyrrolidinyl)methanone
IUPAC NAME: (3-methylsulfanyl-1-phenylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
SYSTEMATIC NAME: (3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-pyrrolidin-1-yl-methanone
MOLECULAR FORMULA: C15H17N3OS
MOLECULAR WEIGHT: 287.37998
SMILES: CSC1=NN(C=C1C(=O)N2CCCC2)C3=CC=CC=C3
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Product OPENEYE NAME: (3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-(1-piperidyl)methanone
CAS Name: [3-(methylthio)-1-phenyl-4-pyrazolyl]-(1-piperidinyl)methanone
IUPAC NAME: (3-methylsulfanyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
SYSTEMATIC NAME: (3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-piperidin-1-yl-methanone
MOLECULAR FORMULA: C16H19N3OS
MOLECULAR WEIGHT: 301.40656
SMILES: CSC1=NN(C=C1C(=O)N2CCCCC2)C3=CC=CC=C3
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Product OPENEYE NAME: (3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-morpholino-methanone
CAS Name: [3-(methylthio)-1-phenyl-4-pyrazolyl]-(4-morpholinyl)methanone
IUPAC NAME: (3-methylsulfanyl-1-phenylpyrazol-4-yl)-morpholin-4-ylmethanone
SYSTEMATIC NAME: (3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-morpholin-4-yl-methanone
MOLECULAR FORMULA: C15H17N3O2S
MOLECULAR WEIGHT: 303.37938
SMILES: CSC1=NN(C=C1C(=O)N2CCOCC2)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 4-[3-(4-chlorophenyl)-2-cyano-3-oxo-prop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS Name: 4-[3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4-[3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 4-[3-(4-chlorophenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C18H15ClN2O3
MOLECULAR WEIGHT: 342.7763
SMILES: CC1=C(C(=C(N1)C)C(=O)OC)C=C(C#N)C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: methyl 4-[2-cyano-3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS Name: 4-[2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4-[2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 4-[2-cyano-3-(4-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C19H18N2O4
MOLECULAR WEIGHT: 338.35722
SMILES: CC1=C(C(=C(N1)C)C(=O)OC)C=C(C#N)C(=O)C2=CC=C(C=C2)OC
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