Thursday, November 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 4-[2-(4-ethoxycarbonyl-1-piperidyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: 4-[2-(4-ethoxycarbonyl-1-piperidinyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[2-(4-ethoxycarbonylpiperidin-1-yl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-[2-(4-ethoxycarbonylpiperidin-1-yl)phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C27H34N2O5
MOLECULAR WEIGHT: 466.56926
SMILES: CCOC(=O)C1CCN(CC1)C2=CC=CC=C2C3C4=C(CCCC4=O)NC(=C3C(=O)OCC)C
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Product OPENEYE NAME: 2-methyl-4-(3-methyl-2-thienyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: 2-methyl-4-(3-methyl-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: 2-methyl-4-(3-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 2-methyl-4-(3-methylthiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C16H16N2OS
MOLECULAR WEIGHT: 284.37604
SMILES: CC1=C(SC=C1)C2C(=C(NC3=C2C(=O)CCC3)C)C#N
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Product OPENEYE NAME: 2-methyl-4-(3-methylbenzothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: 2-methyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: 2-methyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 2-methyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C20H18N2OS
MOLECULAR WEIGHT: 334.43472
SMILES: CC1=C(SC2=CC=CC=C12)C3C(=C(NC4=C3C(=O)CCC4)C)C#N
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Product OPENEYE NAME: 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 4-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C18H14ClF3N2O
MOLECULAR WEIGHT: 366.76477
SMILES: CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=C(C=C3)C(F)(F)F)Cl)C#N
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Product OPENEYE NAME: benzyl 4-(indan-2-ylcarbamoyl)piperidine-1-carboxylate
CAS Name: 4-[(2,3-dihydro-1H-inden-2-ylamino)-oxomethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)piperidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C23H26N2O3
MOLECULAR WEIGHT: 378.46414
SMILES: C1CN(CCC1C(=O)NC2CC3=CC=CC=C3C2)C(=O)OCC4=CC=CC=C4
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Product OPENEYE NAME: 2-methyl-5-oxo-4-[5-(2-thienyl)-2-thienyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: 2-methyl-5-oxo-4-(5-thiophen-2-yl-2-thiophenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: 2-methyl-5-oxo-4-(5-thiophen-2-ylthiophen-2-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 2-methyl-5-oxidanylidene-4-(5-thiophen-2-ylthiophen-2-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C19H16N2OS2
MOLECULAR WEIGHT: 352.47314
SMILES: CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(S3)C4=CC=CS4)C#N
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Product OPENEYE NAME: 2-methyl-5-oxo-4-[5-(2-phenylethynyl)-2-thienyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: 2-methyl-5-oxo-4-[5-(2-phenylethynyl)-2-thiophenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: 2-methyl-5-oxo-4-[5-(2-phenylethynyl)thiophen-2-yl]-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 2-methyl-5-oxidanylidene-4-[5-(2-phenylethynyl)thiophen-2-yl]-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C23H18N2OS
MOLECULAR WEIGHT: 370.46682
SMILES: CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(S3)C#CC4=CC=CC=C4)C#N
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Product OPENEYE NAME: 2-methyl-5-oxo-4-[5-(2-thienyl)-1H-pyrazol-4-yl]-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: 2-methyl-5-oxo-4-(5-thiophen-2-yl-1H-pyrazol-4-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: 2-methyl-5-oxo-4-(5-thiophen-2-yl-1H-pyrazol-4-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 2-methyl-5-oxidanylidene-4-(5-thiophen-2-yl-1H-pyrazol-4-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C18H16N4OS
MOLECULAR WEIGHT: 336.41084
SMILES: CC1=C(C(C2=C(N1)CCCC2=O)C3=C(NN=C3)C4=CC=CS4)C#N
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Product OPENEYE NAME: 4-(1H-indol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: 4-(1H-indol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: 4-(1H-indol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 4-(1H-indol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C19H17N3O
MOLECULAR WEIGHT: 303.35778
SMILES: CC1=C(C(C2=C(N1)CCCC2=O)C3=CNC4=CC=CC=C43)C#N
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Product OPENEYE NAME: 4-(1H-imidazol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: 4-(1H-imidazol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: 4-(1H-imidazol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 4-(1H-imidazol-5-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C14H14N4O
MOLECULAR WEIGHT: 254.28716
SMILES: CC1=C(C(C2=C(N1)CCCC2=O)C3=CN=CN3)C#N
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Product OPENEYE NAME: N-(1-benzyl-4-piperidyl)-4-(4-chlorophenyl)sulfonyl-3-methyl-thiophene-2-carboxamide
CAS Name: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-2-thiophenecarboxamide
IUPAC NAME: N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide
SYSTEMATIC NAME: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-[1-(phenylmethyl)piperidin-4-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C24H25ClN2O3S2
MOLECULAR WEIGHT: 489.0499
SMILES: CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3CCN(CC3)CC4=CC=CC=C4
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Product OPENEYE NAME: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-[2-[(4-nitrophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide
CAS Name: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-[2-[(4-nitrophenyl)methylthio]ethyl]-2-thiophenecarboxamide
IUPAC NAME: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-[2-[(4-nitrophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide
SYSTEMATIC NAME: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-[2-[(4-nitrophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C21H19ClN2O5S3
MOLECULAR WEIGHT: 511.03396
SMILES: CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NCCSCC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-(3-chloro-4-morpholino-phenyl)-4-(4-chlorophenyl)sulfonyl-3-methyl-thiophene-2-carboxamide
CAS Name: N-[3-chloro-4-(4-morpholinyl)phenyl]-4-(4-chlorophenyl)sulfonyl-3-methyl-2-thiophenecarboxamide
IUPAC NAME: N-(3-chloro-4-morpholin-4-ylphenyl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide
SYSTEMATIC NAME: N-(3-chloranyl-4-morpholin-4-yl-phenyl)-4-(4-chlorophenyl)sulfonyl-3-methyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C22H20Cl2N2O4S2
MOLECULAR WEIGHT: 511.4412
SMILES: CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCOCC4)Cl
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Product OPENEYE NAME: [4-(4-chlorophenyl)sulfonyl-3-methyl-2-thienyl]-[4-(2-methoxyphenyl)-1-piperidyl]methanone
CAS Name: [4-(4-chlorophenyl)sulfonyl-3-methyl-2-thiophenyl]-[4-(2-methoxyphenyl)-1-piperidinyl]methanone
IUPAC NAME: [4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
SYSTEMATIC NAME: [4-(4-chlorophenyl)sulfonyl-3-methyl-thiophen-2-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
MOLECULAR FORMULA: C24H24ClNO4S2
MOLECULAR WEIGHT: 490.03466
SMILES: CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCC(CC3)C4=CC=CC=C4OC
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Product OPENEYE NAME: [1-[4-(4-chlorophenyl)sulfonyl-3-methyl-thiophene-2-carbonyl]-4-piperidyl]-(4-fluorophenyl)methanone
CAS Name: [1-[[4-(4-chlorophenyl)sulfonyl-3-methyl-2-thiophenyl]-oxomethyl]-4-piperidinyl]-(4-fluorophenyl)methanone
IUPAC NAME: [1-[4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carbonyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SYSTEMATIC NAME: [1-[4-(4-chlorophenyl)sulfonyl-3-methyl-thiophen-2-yl]carbonylpiperidin-4-yl]-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C24H21ClFNO4S2
MOLECULAR WEIGHT: 506.009243
SMILES: CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCC(CC3)C(=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: [4-(4-chlorophenyl)sulfonyl-3-methyl-2-thienyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CAS Name: [4-(4-chlorophenyl)sulfonyl-3-methyl-2-thiophenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
IUPAC NAME: [4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SYSTEMATIC NAME: [4-(4-chlorophenyl)sulfonyl-3-methyl-thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
MOLECULAR FORMULA: C22H20ClNO3S2
MOLECULAR WEIGHT: 445.9821
SMILES: CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=C(C(=CS3)S(=O)(=O)C4=CC=C(C=C4)Cl)C
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Product OPENEYE NAME: 4-(4-chlorophenyl)sulfonyl-N,3-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CAS Name: 4-(4-chlorophenyl)sulfonyl-N,3-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
IUPAC NAME: 4-(4-chlorophenyl)sulfonyl-N,3-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: 4-(4-chlorophenyl)sulfonyl-N,3-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C16H11ClF3N3O3S3
MOLECULAR WEIGHT: 481.92005
SMILES: CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)N(C)C3=NN=C(S3)C(F)(F)F
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Product OPENEYE NAME: N-benzyl-4-(4-chlorophenyl)sulfonyl-3-methyl-N-(3-pyridylmethyl)thiophene-2-carboxamide
CAS Name: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-(phenylmethyl)-N-(3-pyridinylmethyl)-2-thiophenecarboxamide
IUPAC NAME: N-benzyl-4-(4-chlorophenyl)sulfonyl-3-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SYSTEMATIC NAME: 4-(4-chlorophenyl)sulfonyl-3-methyl-N-(phenylmethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
MOLECULAR FORMULA: C25H21ClN2O3S2
MOLECULAR WEIGHT: 497.02884
SMILES: CC1=C(SC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)N(CC3=CC=CC=C3)CC4=CN=CC=C4
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