Sunday, January 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (4-nitrophenyl)methyl (4R)-4-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-azetidin-2-yl]-3-oxo-pentanoate
CAS Name: (4R)-4-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-2-azetidinyl]-3-oxopentanoic acid (4-nitrophenyl)methyl ester
IUPAC NAME: (4-nitrophenyl)methyl (4R)-4-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxopentanoate
SYSTEMATIC NAME: (4-nitrophenyl)methyl (4R)-4-[3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxidanylidene-azetidin-2-yl]-3-oxidanylidene-pentanoate
MOLECULAR FORMULA: C23H34N2O7Si
MOLECULAR WEIGHT: 478.61076
SMILES: C[C@@H](C1C(NC1=O)[C@@H](C)C(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O[Si](C)(C)C(C)(C)C
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Product OPENEYE NAME: N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-(4-morpholinobutyl)quinazolin-4-amine
CAS Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[4-(4-morpholinyl)butyl]-4-quinazolinamine
IUPAC NAME: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(4-morpholin-4-ylbutyl)quinazolin-4-amine
SYSTEMATIC NAME: N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-6-(4-morpholin-4-ylbutyl)quinazolin-4-amine
MOLECULAR FORMULA: C23H26ClFN4O2
MOLECULAR WEIGHT: 444.929543
SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)CCCCN4CCOCC4
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Product OPENEYE NAME: 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-phenyl-urea
CAS Name: 1-[4-[2-[(5,6-diphenyl-4-furo[2,3-d]pyrimidinyl)amino]ethyl]phenyl]-3-phenylurea
IUPAC NAME: 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea
SYSTEMATIC NAME: 1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-phenyl-urea
MOLECULAR FORMULA: C33H27N5O2
MOLECULAR WEIGHT: 525.59978
SMILES: C1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCC4=CC=C(C=C4)NC(=O)NC5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME: N-[(3R)-1-[2-(m-tolyl)benzoyl]-3-piperidyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CAS Name: N-[(3R)-1-[[2-(3-methylphenyl)phenyl]-oxomethyl]-3-piperidinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
IUPAC NAME: N-[(3R)-1-[2-(3-methylphenyl)benzoyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[2-(3-methylphenyl)phenyl]carbonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C27H26N4O2
MOLECULAR WEIGHT: 438.52094
SMILES: CC1=CC=CC(=C1)C2=CC=CC=C2C(=O)N3CCC[C@H](C3)NC(=O)C4=CN=C5C(=C4)C=CN5
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Product OPENEYE NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)benzoyl]-3-piperidyl]-1-methyl-indazole-3-carboxamide
CAS Name: N-[(3R)-1-[[2-(3,4-dimethylphenyl)phenyl]-oxomethyl]-3-piperidinyl]-1-methyl-3-indazolecarboxamide
IUPAC NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)benzoyl]piperidin-3-yl]-1-methylindazole-3-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)phenyl]carbonylpiperidin-3-yl]-1-methyl-indazole-3-carboxamide
MOLECULAR FORMULA: C29H30N4O2
MOLECULAR WEIGHT: 466.5741
SMILES: CC1=C(C=C(C=C1)C2=CC=CC=C2C(=O)N3CCC[C@H](C3)NC(=O)C4=NN(C5=CC=CC=C54)C)C
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Product OPENEYE NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)benzoyl]-3-piperidyl]-1-methyl-indole-3-carboxamide
CAS Name: N-[(3R)-1-[[2-(3,4-dimethylphenyl)phenyl]-oxomethyl]-3-piperidinyl]-1-methyl-3-indolecarboxamide
IUPAC NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)benzoyl]piperidin-3-yl]-1-methylindole-3-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)phenyl]carbonylpiperidin-3-yl]-1-methyl-indole-3-carboxamide
MOLECULAR FORMULA: C30H31N3O2
MOLECULAR WEIGHT: 465.58604
SMILES: CC1=C(C=C(C=C1)C2=CC=CC=C2C(=O)N3CCC[C@H](C3)NC(=O)C4=CN(C5=CC=CC=C54)C)C
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Product OPENEYE NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)benzoyl]-3-piperidyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CAS Name: N-[(3R)-1-[[2-(3,4-dimethylphenyl)phenyl]-oxomethyl]-3-piperidinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
IUPAC NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)benzoyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)phenyl]carbonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C28H28N4O2
MOLECULAR WEIGHT: 452.54752
SMILES: CC1=C(C=C(C=C1)C2=CC=CC=C2C(=O)N3CCC[C@H](C3)NC(=O)C4=C5C=CNC5=NC=C4)C
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Product OPENEYE NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)benzoyl]-3-piperidyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide
CAS Name: N-[(3R)-1-[[2-(3,4-dimethylphenyl)phenyl]-oxomethyl]-3-piperidinyl]-2-ethyl-5-methyl-3-pyrazolecarboxamide
IUPAC NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)benzoyl]piperidin-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[2-(3,4-dimethylphenyl)phenyl]carbonylpiperidin-3-yl]-2-ethyl-5-methyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C27H32N4O2
MOLECULAR WEIGHT: 444.56858
SMILES: CCN1C(=CC(=N1)C)C(=O)N[C@@H]2CCCN(C2)C(=O)C3=CC=CC=C3C4=CC(=C(C=C4)C)C
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Product OPENEYE NAME: 2,6-ditert-butyl-N-[1-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CAS Name: 2,6-ditert-butyl-N-[1-[oxo(1-pyrrolidinyl)methyl]cyclopentyl]-4-pyridinecarboxamide
IUPAC NAME: 2,6-ditert-butyl-N-[1-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
SYSTEMATIC NAME: 2,6-ditert-butyl-N-(1-pyrrolidin-1-ylcarbonylcyclopentyl)pyridine-4-carboxamide
MOLECULAR FORMULA: C24H37N3O2
MOLECULAR WEIGHT: 399.56948
SMILES: CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2(CCCC2)C(=O)N3CCCC3
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Product OPENEYE NAME: 2,6-ditert-butyl-N-[1-(4-methylpiperazine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CAS Name: 2,6-ditert-butyl-N-[1-[(4-methyl-1-piperazinyl)-oxomethyl]cyclopentyl]-4-pyridinecarboxamide
IUPAC NAME: 2,6-ditert-butyl-N-[1-(4-methylpiperazine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
SYSTEMATIC NAME: 2,6-ditert-butyl-N-[1-(4-methylpiperazin-1-yl)carbonylcyclopentyl]pyridine-4-carboxamide
MOLECULAR FORMULA: C25H40N4O2
MOLECULAR WEIGHT: 428.6107
SMILES: CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2(CCCC2)C(=O)N3CCN(CC3)C
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Product OPENEYE NAME: 2,6-ditert-butyl-N-[1-(morpholine-4-carbonyl)cyclopentyl]pyridine-4-carboxamide
CAS Name: 2,6-ditert-butyl-N-[1-[4-morpholinyl(oxo)methyl]cyclopentyl]-4-pyridinecarboxamide
IUPAC NAME: 2,6-ditert-butyl-N-[1-(morpholine-4-carbonyl)cyclopentyl]pyridine-4-carboxamide
SYSTEMATIC NAME: 2,6-ditert-butyl-N-(1-morpholin-4-ylcarbonylcyclopentyl)pyridine-4-carboxamide
MOLECULAR FORMULA: C24H37N3O3
MOLECULAR WEIGHT: 415.56888
SMILES: CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2(CCCC2)C(=O)N3CCOCC3
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Product OPENEYE NAME: N-[1-(benzylcarbamoyl)cyclopentyl]-2,6-ditert-butyl-pyridine-4-carboxamide
CAS Name: 2,6-ditert-butyl-N-[1-[oxo-[(phenylmethyl)amino]methyl]cyclopentyl]-4-pyridinecarboxamide
IUPAC NAME: N-[1-(benzylcarbamoyl)cyclopentyl]-2,6-ditert-butylpyridine-4-carboxamide
SYSTEMATIC NAME: 2,6-ditert-butyl-N-[1-[(phenylmethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide
MOLECULAR FORMULA: C27H37N3O2
MOLECULAR WEIGHT: 435.60158
SMILES: CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2(CCCC2)C(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: 3,5-ditert-butyl-4-methoxy-N-[1-(phenylcarbamoyl)cyclohexyl]benzamide
CAS Name: N-[1-[anilino(oxo)methyl]cyclohexyl]-3,5-ditert-butyl-4-methoxybenzamide
IUPAC NAME: 3,5-ditert-butyl-4-methoxy-N-[1-(phenylcarbamoyl)cyclohexyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-4-methoxy-N-[1-(phenylcarbamoyl)cyclohexyl]benzamide
MOLECULAR FORMULA: C29H40N2O3
MOLECULAR WEIGHT: 464.6395
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C(=O)NC2(CCCCC2)C(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: N-[4-(benzylcarbamoyl)-1-methyl-4-piperidyl]-2,6-ditert-butyl-pyridine-4-carboxamide
CAS Name: 2,6-ditert-butyl-N-[1-methyl-4-[oxo-[(phenylmethyl)amino]methyl]-4-piperidinyl]-4-pyridinecarboxamide
IUPAC NAME: N-[4-(benzylcarbamoyl)-1-methylpiperidin-4-yl]-2,6-ditert-butylpyridine-4-carboxamide
SYSTEMATIC NAME: 2,6-ditert-butyl-N-[1-methyl-4-[(phenylmethyl)carbamoyl]piperidin-4-yl]pyridine-4-carboxamide
MOLECULAR FORMULA: C28H40N4O2
MOLECULAR WEIGHT: 464.6428
SMILES: CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2(CCN(CC2)C)C(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: 6-chloro-7-(2-fluoro-4-iodo-anilino)-N-methoxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 6-chloro-7-(2-fluoro-4-iodoanilino)-N-methoxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 6-chloro-7-(2-fluoro-4-iodoanilino)-N-methoxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-7-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-methoxy-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C16H14ClFIN3O3
MOLECULAR WEIGHT: 477.656533
SMILES: CONC(=O)C1=C2CCCN2C(=O)C(=C1NC3=C(C=C(C=C3)I)F)Cl
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Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-6-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
CAS Name: 7-(4-bromo-2-fluoroanilino)-6-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-6-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SYSTEMATIC NAME: 7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-chloranyl-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxylic acid
MOLECULAR FORMULA: C15H11BrClFN2O3
MOLECULAR WEIGHT: 401.614843
SMILES: C1CC2=C(C(=C(C(=O)N2C1)Cl)NC3=C(C=C(C=C3)Br)F)C(=O)O
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Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-6-chloro-N-(cyclopropylmethoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 7-(4-bromo-2-fluoroanilino)-6-chloro-N-(cyclopropylmethoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-6-chloro-N-(cyclopropylmethoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-chloranyl-N-(cyclopropylmethoxy)-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C19H18BrClFN3O3
MOLECULAR WEIGHT: 470.719923
SMILES: C1CC2=C(C(=C(C(=O)N2C1)Cl)NC3=C(C=C(C=C3)Br)F)C(=O)NOCC4CC4
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Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-6-chloro-N-methoxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 7-(4-bromo-2-fluoroanilino)-6-chloro-N-methoxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-6-chloro-N-methoxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-chloranyl-N-methoxy-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C16H14BrClFN3O3
MOLECULAR WEIGHT: 430.656063
SMILES: CONC(=O)C1=C2CCCN2C(=O)C(=C1NC3=C(C=C(C=C3)Br)F)Cl
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Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-N-(2,3-dihydroxypropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 7-(4-bromo-2-fluoroanilino)-N-(2,3-dihydroxypropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-N-(2,3-dihydroxypropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: N-[2,3-bis(oxidanyl)propoxy]-7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C18H19BrFN3O5
MOLECULAR WEIGHT: 456.262963
SMILES: C1CC2=C(C(=CC(=O)N2C1)NC3=C(C=C(C=C3)Br)F)C(=O)NOCC(CO)O
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Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-8-[3-hydroxy-3-(2-pyridyl)azetidine-1-carbonyl]-2,3-dihydro-1H-indolizin-5-one
CAS Name: 7-(4-bromo-2-fluoroanilino)-8-[[3-hydroxy-3-(2-pyridinyl)-1-azetidinyl]-oxomethyl]-2,3-dihydro-1H-indolizin-5-one
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-8-(3-hydroxy-3-pyridin-2-ylazetidine-1-carbonyl)-2,3-dihydro-1H-indolizin-5-one
SYSTEMATIC NAME: 7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-8-(3-oxidanyl-3-pyridin-2-yl-azetidin-1-yl)carbonyl-2,3-dihydro-1H-indolizin-5-one
MOLECULAR FORMULA: C23H20BrFN4O3
MOLECULAR WEIGHT: 499.332303
SMILES: C1CC2=C(C(=CC(=O)N2C1)NC3=C(C=C(C=C3)Br)F)C(=O)N4CC(C4)(C5=CC=CC=N5)O
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Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-8-(3-hydroxyazetidine-1-carbonyl)-2,3-dihydro-1H-indolizin-5-one
CAS Name: 7-(4-bromo-2-fluoroanilino)-8-[(3-hydroxy-1-azetidinyl)-oxomethyl]-2,3-dihydro-1H-indolizin-5-one
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-8-(3-hydroxyazetidine-1-carbonyl)-2,3-dihydro-1H-indolizin-5-one
SYSTEMATIC NAME: 7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-8-(3-oxidanylazetidin-1-yl)carbonyl-2,3-dihydro-1H-indolizin-5-one
MOLECULAR FORMULA: C18H17BrFN3O3
MOLECULAR WEIGHT: 422.248283
SMILES: C1CC2=C(C(=CC(=O)N2C1)NC3=C(C=C(C=C3)Br)F)C(=O)N4CC(C4)O
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