Saturday, December 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[4-(benzylcarbamoyl)-4-piperidyl]-2,6-ditert-butyl-pyridine-4-carboxamide
CAS Name: 2,6-ditert-butyl-N-[4-[oxo-[(phenylmethyl)amino]methyl]-4-piperidinyl]-4-pyridinecarboxamide
IUPAC NAME: N-[4-(benzylcarbamoyl)piperidin-4-yl]-2,6-ditert-butylpyridine-4-carboxamide
SYSTEMATIC NAME: 2,6-ditert-butyl-N-[4-[(phenylmethyl)carbamoyl]piperidin-4-yl]pyridine-4-carboxamide
MOLECULAR FORMULA: C27H38N4O2
MOLECULAR WEIGHT: 450.61622
SMILES: CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2(CCNCC2)C(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: 2-(4-bromo-2-fluoro-anilino)-N-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CAS Name: 2-(4-bromo-2-fluoroanilino)-N-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
IUPAC NAME: 2-(4-bromo-2-fluoroanilino)-N-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SYSTEMATIC NAME: 2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-N-ethoxy-4-oxidanylidene-6,7,8,9-tetrahydroquinolizine-1-carboxamide
MOLECULAR FORMULA: C18H19BrFN3O3
MOLECULAR WEIGHT: 424.264163
SMILES: CCONC(=O)C1=C2CCCCN2C(=O)C=C1NC3=C(C=C(C=C3)Br)F
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Product OPENEYE NAME: 2-(4-bromo-2-fluoro-anilino)-4-oxo-N-(2-vinyloxyethoxy)-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CAS Name: 2-(4-bromo-2-fluoroanilino)-N-(2-ethenoxyethoxy)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
IUPAC NAME: 2-(4-bromo-2-fluoroanilino)-N-(2-ethenoxyethoxy)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SYSTEMATIC NAME: 2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-N-(2-ethenoxyethoxy)-4-oxidanylidene-6,7,8,9-tetrahydroquinolizine-1-carboxamide
MOLECULAR FORMULA: C20H21BrFN3O4
MOLECULAR WEIGHT: 466.300843
SMILES: C=COCCONC(=O)C1=C2CCCCN2C(=O)C=C1NC3=C(C=C(C=C3)Br)F
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Product OPENEYE NAME: 2-(4-bromo-2-fluoro-anilino)-N-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CAS Name: 2-(4-bromo-2-fluoroanilino)-N-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
IUPAC NAME: 2-(4-bromo-2-fluoroanilino)-N-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SYSTEMATIC NAME: 2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-N-methoxy-4-oxidanylidene-6,7,8,9-tetrahydroquinolizine-1-carboxamide
MOLECULAR FORMULA: C17H17BrFN3O3
MOLECULAR WEIGHT: 410.237583
SMILES: CONC(=O)C1=C2CCCCN2C(=O)C=C1NC3=C(C=C(C=C3)Br)F
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Product OPENEYE NAME: N-[7-(4-bromo-2-fluoro-anilino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide
CAS Name: N-[7-(4-bromo-2-fluoroanilino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide
IUPAC NAME: N-[7-(4-bromo-2-fluoroanilino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide
SYSTEMATIC NAME: N-[7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-fluoranyl-5-oxidanylidene-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide
MOLECULAR FORMULA: C17H16BrF2N3O3S
MOLECULAR WEIGHT: 460.293046
SMILES: C1CC2=C(C(=C(C(=O)N2C1)F)NC3=C(C=C(C=C3)Br)F)NS(=O)(=O)C4CC4
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Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-8-(dimethylsulfamoylamino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine
CAS Name: 7-(4-bromo-2-fluoroanilino)-8-(dimethylsulfamoylamino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-8-(dimethylsulfamoylamino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine
SYSTEMATIC NAME: 7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-8-(dimethylsulfamoylamino)-6-fluoranyl-5-oxidanylidene-2,3-dihydro-1H-indolizine
MOLECULAR FORMULA: C16H17BrF2N4O3S
MOLECULAR WEIGHT: 463.296986
SMILES: CN(C)S(=O)(=O)NC1=C2CCCN2C(=O)C(=C1NC3=C(C=C(C=C3)Br)F)F
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Product OPENEYE NAME: 7-(4-bromo-2-methyl-anilino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
CAS Name: 7-(4-bromo-2-methylanilino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
IUPAC NAME: 7-(4-bromo-2-methylanilino)-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SYSTEMATIC NAME: 7-[(4-bromanyl-2-methyl-phenyl)amino]-6-fluoranyl-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxylic acid
MOLECULAR FORMULA: C16H14BrFN2O3
MOLECULAR WEIGHT: 381.196363
SMILES: CC1=C(C=CC(=C1)Br)NC2=C(C(=O)N3CCCC3=C2C(=O)O)F
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Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-N-ethoxy-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 7-(4-bromo-2-fluoroanilino)-N-ethoxy-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-N-ethoxy-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-N-ethoxy-6-fluoranyl-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C17H16BrF2N3O3
MOLECULAR WEIGHT: 428.228046
SMILES: CCONC(=O)C1=C2CCCN2C(=O)C(=C1NC3=C(C=C(C=C3)Br)F)F
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Product OPENEYE NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(4-fluorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(4-fluorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(4-fluorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(4-fluorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H26ClFN4
MOLECULAR WEIGHT: 424.941443
SMILES: C1C[C@@H](C[C@H]1N2CCN(CC2)C3=CC=CC=C3Cl)N4C=CC(=N4)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(4-fluorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(4-fluorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(4-fluorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(4-fluorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H26ClFN4
MOLECULAR WEIGHT: 424.941443
SMILES: C1C[C@H](C[C@H]1N2CCN(CC2)C3=CC=CC=C3Cl)N4C=CC(=N4)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 1-(4-chlorophenyl)-4-[(1S,3S)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(4-chlorophenyl)-4-[(1S,3S)-3-[3-(3-chlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(4-chlorophenyl)-4-[(1S,3S)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)-4-[(1S,3S)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H26Cl2N4
MOLECULAR WEIGHT: 441.39604
SMILES: C1C[C@@H](C[C@H]1N2CCN(CC2)C3=CC=C(C=C3)Cl)N4C=CC(=N4)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME: 1-(4-chlorophenyl)-4-[(1S,3R)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(4-chlorophenyl)-4-[(1S,3R)-3-[3-(3-chlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(4-chlorophenyl)-4-[(1S,3R)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)-4-[(1S,3R)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H26Cl2N4
MOLECULAR WEIGHT: 441.39604
SMILES: C1C[C@H](C[C@H]1N2CCN(CC2)C3=CC=C(C=C3)Cl)N4C=CC(=N4)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(3-chlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H26Cl2N4
MOLECULAR WEIGHT: 441.39604
SMILES: C1C[C@@H](C[C@H]1N2CCN(CC2)C3=CC=CC=C3Cl)N4C=CC(=N4)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(3-chlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(3-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H26Cl2N4
MOLECULAR WEIGHT: 441.39604
SMILES: C1C[C@H](C[C@H]1N2CCN(CC2)C3=CC=CC=C3Cl)N4C=CC(=N4)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME: 2-[[6-(2-naphthyl)-1H-benzimidazole-2-carbonyl]amino]acetic acid
CAS Name: 2-[[[6-(2-naphthalenyl)-1H-benzimidazol-2-yl]-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[(6-naphthalen-2-yl-1H-benzimidazole-2-carbonyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(6-naphthalen-2-yl-1H-benzimidazol-2-yl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C20H15N3O3
MOLECULAR WEIGHT: 345.3514
SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CC4=C(C=C3)N=C(N4)C(=O)NCC(=O)O
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Product OPENEYE NAME: 2-[[6-(4-propoxyphenyl)-1H-benzimidazole-2-carbonyl]amino]acetic acid
CAS Name: 2-[[oxo-[6-(4-propoxyphenyl)-1H-benzimidazol-2-yl]methyl]amino]acetic acid
IUPAC NAME: 2-[[6-(4-propoxyphenyl)-1H-benzimidazole-2-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[6-(4-propoxyphenyl)-1H-benzimidazol-2-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C19H19N3O4
MOLECULAR WEIGHT: 353.37186
SMILES: CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(N3)C(=O)NCC(=O)O
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Product OPENEYE NAME: 2-[[6-(4-chloro-3-methyl-phenyl)-1H-benzimidazole-2-carbonyl]amino]acetic acid
CAS Name: 2-[[[6-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-yl]-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[[6-(4-chloro-3-methylphenyl)-1H-benzimidazole-2-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[6-(4-chloranyl-3-methyl-phenyl)-1H-benzimidazol-2-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C17H14ClN3O3
MOLECULAR WEIGHT: 343.76436
SMILES: CC1=C(C=CC(=C1)C2=CC3=C(C=C2)N=C(N3)C(=O)NCC(=O)O)Cl
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Product OPENEYE NAME: 2-[[6-(5-chloro-2-fluoro-phenyl)-1H-benzimidazole-2-carbonyl]amino]acetic acid
CAS Name: 2-[[[6-(5-chloro-2-fluorophenyl)-1H-benzimidazol-2-yl]-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[[6-(5-chloro-2-fluorophenyl)-1H-benzimidazole-2-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[6-(5-chloranyl-2-fluoranyl-phenyl)-1H-benzimidazol-2-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C16H11ClFN3O3
MOLECULAR WEIGHT: 347.728243
SMILES: C1=CC2=C(C=C1C3=C(C=CC(=C3)Cl)F)NC(=N2)C(=O)NCC(=O)O
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Product OPENEYE NAME: 2-[(6-benzamido-1H-benzimidazole-2-carbonyl)amino]acetic acid
CAS Name: 2-[[(6-benzamido-1H-benzimidazol-2-yl)-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[(6-benzamido-1H-benzimidazole-2-carbonyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(6-benzamido-1H-benzimidazol-2-yl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C17H14N4O4
MOLECULAR WEIGHT: 338.31746
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C(=O)NCC(=O)O
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Product OPENEYE NAME: 2-[[6-(benzenesulfonamido)-1H-benzimidazole-2-carbonyl]amino]acetic acid
CAS Name: 2-[[[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[[6-(benzenesulfonamido)-1H-benzimidazole-2-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[6-(phenylsulfonylamino)-1H-benzimidazol-2-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C16H14N4O5S
MOLECULAR WEIGHT: 374.37116
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(N3)C(=O)NCC(=O)O
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Product OPENEYE NAME: 2-[[6-(benzylamino)-1H-benzimidazole-2-carbonyl]amino]acetic acid
CAS Name: 2-[[oxo-[6-[(phenylmethyl)amino]-1H-benzimidazol-2-yl]methyl]amino]acetic acid
IUPAC NAME: 2-[[6-(benzylamino)-1H-benzimidazole-2-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[6-[(phenylmethyl)amino]-1H-benzimidazol-2-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C17H16N4O3
MOLECULAR WEIGHT: 324.33394
SMILES: C1=CC=C(C=C1)CNC2=CC3=C(C=C2)N=C(N3)C(=O)NCC(=O)O
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