Wednesday, February 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 4-[(3-chlorophenyl)-(6-hydroxy-2-methyl-thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazine-1-carboxylate
CAS Name: 4-[(3-chlorophenyl)-(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)methyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[(3-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[(3-chlorophenyl)-(2-methyl-6-oxidanyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C19H22ClN5O3S
MOLECULAR WEIGHT: 435.92768
SMILES: CCOC(=O)N1CCN(CC1)C(C2=CC(=CC=C2)Cl)C3=C(N4C(=NC(=N4)C)S3)O
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Product OPENEYE NAME: [2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexyl-methanone
CAS Name: [2-[(2-chloro-6-fluorophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
IUPAC NAME: [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
SYSTEMATIC NAME: [2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexyl-methanone
MOLECULAR FORMULA: C17H20ClFN2OS
MOLECULAR WEIGHT: 354.869903
SMILES: C1CCC(CC1)C(=O)N2CCN=C2SCC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 2-(2,4-dichlorophenoxy)-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CAS Name: 2-(2,4-dichlorophenoxy)-1-[2-[[4-(trifluoromethyl)phenyl]methylthio]-4,5-dihydroimidazol-1-yl]ethanone
IUPAC NAME: 2-(2,4-dichlorophenoxy)-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
MOLECULAR FORMULA: C19H15Cl2F3N2O2S
MOLECULAR WEIGHT: 463.30081
SMILES: C1CN(C(=N1)SCC2=CC=C(C=C2)C(F)(F)F)C(=O)COC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 5-[(3,5-dimethyl-1-piperidyl)-(p-tolyl)methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol
CAS Name: 5-[(3,5-dimethyl-1-piperidinyl)-(4-methylphenyl)methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol
IUPAC NAME: 5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SYSTEMATIC NAME: 5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
MOLECULAR FORMULA: C20H26N4OS
MOLECULAR WEIGHT: 370.51164
SMILES: CC1CC(CN(C1)C(C2=CC=C(C=C2)C)C3=C(N4C(=NC(=N4)C)S3)O)C
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Product OPENEYE NAME: 3-tert-butyl-1-(2-furylmethyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
CAS Name: 3-tert-butyl-1-(2-furanylmethyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
IUPAC NAME: 3-tert-butyl-1-(furan-2-ylmethyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
SYSTEMATIC NAME: 3-tert-butyl-1-(furan-2-ylmethyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
MOLECULAR FORMULA: C22H29N3O2S
MOLECULAR WEIGHT: 399.54956
SMILES: CC1=C(C2=C(N1)C=CC(=C2)OC)CCN(CC3=CC=CO3)C(=S)NC(C)(C)C
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Product OPENEYE NAME: ethyl 3-(4-fluorophenyl)-5-[(4-methylbenzoyl)amino]-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate
CAS Name: 3-(4-fluorophenyl)-5-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(4-fluorophenyl)-5-[(4-methylbenzoyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
SYSTEMATIC NAME: ethyl 3-(4-fluorophenyl)-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate
MOLECULAR FORMULA: C23H18FN3O4S
MOLECULAR WEIGHT: 451.470123
SMILES: CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)F
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Product OPENEYE NAME: N-[(2-oxopyrrolidin-1-yl)methyl]-4-phenyl-N-(p-tolyl)benzamide
CAS Name: N-(4-methylphenyl)-N-[(2-oxo-1-pyrrolidinyl)methyl]-4-phenylbenzamide
IUPAC NAME: N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-phenylbenzamide
SYSTEMATIC NAME: N-(4-methylphenyl)-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-phenyl-benzamide
MOLECULAR FORMULA: C25H24N2O2
MOLECULAR WEIGHT: 384.47026
SMILES: CC1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: N-[2-(cyclohexen-1-yl)ethyl]-3,5-dinitro-benzamide
CAS Name: N-[2-(1-cyclohexenyl)ethyl]-3,5-dinitrobenzamide
IUPAC NAME: N-[2-(cyclohexen-1-yl)ethyl]-3,5-dinitrobenzamide
SYSTEMATIC NAME: N-[2-(cyclohexen-1-yl)ethyl]-3,5-dinitro-benzamide
MOLECULAR FORMULA: C15H17N3O5
MOLECULAR WEIGHT: 319.31258
SMILES: C1CCC(=CC1)CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 3-(5-chloro-2-thienyl)-2-cyano-prop-2-enamide
CAS Name: 3-(5-chloro-2-thiophenyl)-2-cyano-2-propenamide
IUPAC NAME: 3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide
SYSTEMATIC NAME: 3-(5-chloranylthiophen-2-yl)-2-cyano-prop-2-enamide
MOLECULAR FORMULA: C8H5ClN2OS
MOLECULAR WEIGHT: 212.6561
SMILES: C1=C(SC(=C1)Cl)C=C(C#N)C(=O)N
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Product OPENEYE NAME: N-[3-(2-furyl)prop-2-enylideneamino]-3,4,5-trimethoxy-benzamide
CAS Name: N-[3-(2-furanyl)prop-2-enylideneamino]-3,4,5-trimethoxybenzamide
IUPAC NAME: N-[3-(furan-2-yl)prop-2-enylideneamino]-3,4,5-trimethoxybenzamide
SYSTEMATIC NAME: N-[3-(furan-2-yl)prop-2-enylideneamino]-3,4,5-trimethoxy-benzamide
MOLECULAR FORMULA: C17H18N2O5
MOLECULAR WEIGHT: 330.33522
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC=CC2=CC=CO2
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Product OPENEYE NAME: 2-(4-tert-butylphenyl)-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CAS Name: 2-(4-tert-butylphenyl)-N-[1-(1-ethyl-3-methyl-4-pyrazolyl)ethyl]-4-quinolinecarboxamide
IUPAC NAME: 2-(4-tert-butylphenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(4-tert-butylphenyl)-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
MOLECULAR FORMULA: C28H32N4O
MOLECULAR WEIGHT: 440.57988
SMILES: CCN1C=C(C(=N1)C)C(C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C
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Product OPENEYE NAME: 2-(4-ethoxyphenyl)-N-(4-ethylphenyl)-6-methyl-quinoline-4-carboxamide
CAS Name: 2-(4-ethoxyphenyl)-N-(4-ethylphenyl)-6-methyl-4-quinolinecarboxamide
IUPAC NAME: 2-(4-ethoxyphenyl)-N-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
SYSTEMATIC NAME: 2-(4-ethoxyphenyl)-N-(4-ethylphenyl)-6-methyl-quinoline-4-carboxamide
MOLECULAR FORMULA: C27H26N2O2
MOLECULAR WEIGHT: 410.50754
SMILES: CCC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)OCC
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Product OPENEYE NAME: 2-(2,4-dichlorophenyl)-6-methyl-quinoline-4-carboxylate
CAS Name: 2-(2,4-dichlorophenyl)-6-methyl-4-quinolinecarboxylate
IUPAC NAME: 2-(2,4-dichlorophenyl)-6-methylquinoline-4-carboxylate
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-6-methyl-quinoline-4-carboxylate
MOLECULAR FORMULA: C17H10Cl2NO2-
MOLECULAR WEIGHT: 331.1728
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=C(C=C(C=C3)Cl)Cl
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