Saturday, November 3, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2,7,7-trimethyl-4-(3-methylbenzothiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CAS Name: 2,7,7-trimethyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2,7,7-trimethyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: methyl 2,7,7-trimethyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C23H25NO3S
MOLECULAR WEIGHT: 395.5145
SMILES: CC1=C(SC2=CC=CC=C12)C3C4=C(CC(CC4=O)(C)C)NC(=C3C(=O)OC)C
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Product OPENEYE NAME: methyl 4-(1,3-benzodioxol-5-yl)-7-(2-furyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: 4-(1,3-benzodioxol-5-yl)-7-(2-furanyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4-(1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl 4-(1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C23H21NO6
MOLECULAR WEIGHT: 407.41594
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC5=C(C=C4)OCO5)C(=O)OC
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Product OPENEYE NAME: methyl 4,7-bis(2-furyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: 4,7-bis(2-furanyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4,7-bis(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl 4,7-bis(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C20H19NO5
MOLECULAR WEIGHT: 353.36856
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC=CO4)C(=O)OC
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Product OPENEYE NAME: methyl 4-(2,3-dihydrobenzofuran-5-yl)-7-(2-furyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: 4-(2,3-dihydrobenzofuran-5-yl)-7-(2-furanyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC5=C(C=C4)OCC5)C(=O)OC
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Product OPENEYE NAME: 3-[[6-(4-chlorophenyl)sulfanylimidazo[2,1-b]thiazol-5-yl]methylene]indolin-2-one
CAS Name: 3-[[6-[(4-chlorophenyl)thio]-5-imidazo[2,1-b]thiazolyl]methylidene]-1H-indol-2-one
IUPAC NAME: 3-[[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one
SYSTEMATIC NAME: 3-[[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one
MOLECULAR FORMULA: C20H12ClN3OS2
MOLECULAR WEIGHT: 409.91178
SMILES: C1=CC=C2C(=C1)C(=CC3=C(N=C4N3C=CS4)SC5=CC=C(C=C5)Cl)C(=O)N2
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Product OPENEYE NAME: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
IUPAC NAME: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
SYSTEMATIC NAME: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
MOLECULAR FORMULA: C21H16F3N3O2S
MOLECULAR WEIGHT: 431.43085
SMILES: C1CN(C(C2=C1C3=CC=CC=C3N2)C(F)(F)F)C(=O)CSC4=NC5=CC=CC=C5O4
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Product OPENEYE NAME: methyl 2,5-dimethyl-4-[(2-oxoindolin-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
CAS Name: 2,5-dimethyl-4-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2,5-dimethyl-4-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 2,5-dimethyl-4-[(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C17H16N2O3
MOLECULAR WEIGHT: 296.32054
SMILES: CC1=C(C(=C(N1)C)C(=O)OC)C=C2C3=CC=CC=C3NC2=O
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Product OPENEYE NAME: ethyl 2,5-dimethyl-4-[(2-oxoindolin-3-ylidene)methyl]-1-(2-thienylmethyl)pyrrole-3-carboxylate
CAS Name: 2,5-dimethyl-4-[(2-oxo-1H-indol-3-ylidene)methyl]-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2,5-dimethyl-4-[(2-oxo-1H-indol-3-ylidene)methyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 2,5-dimethyl-4-[(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H22N2O3S
MOLECULAR WEIGHT: 406.49738
SMILES: CCOC(=O)C1=C(N(C(=C1C=C2C3=CC=CC=C3NC2=O)C)CC4=CC=CS4)C
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Product OPENEYE NAME: ethyl 2,5-dimethyl-4-[(2-oxoindolin-3-ylidene)methyl]-1-phenyl-pyrrole-3-carboxylate
CAS Name: 2,5-dimethyl-4-[(2-oxo-1H-indol-3-ylidene)methyl]-1-phenyl-3-pyrrolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2,5-dimethyl-4-[(2-oxo-1H-indol-3-ylidene)methyl]-1-phenylpyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 2,5-dimethyl-4-[(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1-phenyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C24H22N2O3
MOLECULAR WEIGHT: 386.44308
SMILES: CCOC(=O)C1=C(N(C(=C1C=C2C3=CC=CC=C3NC2=O)C)C4=CC=CC=C4)C
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Product OPENEYE NAME: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methylene]indolin-2-one
CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]-1H-indol-2-one
IUPAC NAME: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]-1H-indol-2-one
SYSTEMATIC NAME: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methylidene]-1H-indol-2-one
MOLECULAR FORMULA: C21H21NO3
MOLECULAR WEIGHT: 335.39634
SMILES: COC1=C(C=C(C=C1)C=C2C3=CC=CC=C3NC2=O)OC4CCCC4
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Product OPENEYE NAME: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
IUPAC NAME: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
MOLECULAR FORMULA: C21H16F3N3OS2
MOLECULAR WEIGHT: 447.49645
SMILES: C1CN(C(C2=C1C3=CC=CC=C3N2)C(F)(F)F)C(=O)CSC4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-[(2,5-dimethyl-3-pyrazolyl)amino]-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C9H13N3O3S
MOLECULAR WEIGHT: 243.28282
SMILES: CC1=NN(C(=C1)NC(=O)CSCC(=O)O)C
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Product OPENEYE NAME: 2-[1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-ethyl]cyclopentyl]acetic acid
CAS Name: 2-[1-[2-[(2,5-dimethyl-3-pyrazolyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
IUPAC NAME: 2-[1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SYSTEMATIC NAME: 2-[1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]cyclopentyl]ethanoic acid
MOLECULAR FORMULA: C14H21N3O3
MOLECULAR WEIGHT: 279.33484
SMILES: CC1=NN(C(=C1)NC(=O)CC2(CCCC2)CC(=O)O)C
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Product OPENEYE NAME: 4-[(2,5-dimethylpyrazol-3-yl)amino]-4-oxo-butanoic acid
CAS Name: 4-[(2,5-dimethyl-3-pyrazolyl)amino]-4-oxobutanoic acid
IUPAC NAME: 4-[(2,5-dimethylpyrazol-3-yl)amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(2,5-dimethylpyrazol-3-yl)amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C9H13N3O3
MOLECULAR WEIGHT: 211.21782
SMILES: CC1=NN(C(=C1)NC(=O)CCC(=O)O)C
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Product OPENEYE NAME: 1-(2,5-dimethylpyrazol-3-yl)-4,4-dimethyl-piperidine-2,6-dione
CAS Name: 1-(2,5-dimethyl-3-pyrazolyl)-4,4-dimethylpiperidine-2,6-dione
IUPAC NAME: 1-(2,5-dimethylpyrazol-3-yl)-4,4-dimethylpiperidine-2,6-dione
SYSTEMATIC NAME: 1-(2,5-dimethylpyrazol-3-yl)-4,4-dimethyl-piperidine-2,6-dione
MOLECULAR FORMULA: C12H17N3O2
MOLECULAR WEIGHT: 235.28228
SMILES: CC1=NN(C(=C1)N2C(=O)CC(CC2=O)(C)C)C
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Product OPENEYE NAME: 2-(2,5-dimethylpyrazol-3-yl)isoindoline-1,3-dione
CAS Name: 2-(2,5-dimethyl-3-pyrazolyl)isoindole-1,3-dione
IUPAC NAME: 2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(2,5-dimethylpyrazol-3-yl)isoindole-1,3-dione
MOLECULAR FORMULA: C13H11N3O2
MOLECULAR WEIGHT: 241.24534
SMILES: CC1=NN(C(=C1)N2C(=O)C3=CC=CC=C3C2=O)C
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Product OPENEYE NAME: 1-(2,5-dimethylpyrazol-3-yl)pyrrolidine-2,5-dione
CAS Name: 1-(2,5-dimethyl-3-pyrazolyl)pyrrolidine-2,5-dione
IUPAC NAME: 1-(2,5-dimethylpyrazol-3-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(2,5-dimethylpyrazol-3-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C9H11N3O2
MOLECULAR WEIGHT: 193.20254
SMILES: CC1=NN(C(=C1)N2C(=O)CCC2=O)C
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