Saturday, December 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: tert-butyl 4-[5-[[(2R)-2-(4,4-difluoro-1-piperidyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]carbamoyl]-2-quinolyl]piperazine-1-carboxylate
CAS Name: 4-[5-[[[(2R)-2-(4,4-difluoro-1-piperidinyl)-2-[2-(trifluoromethyl)-5-pyrimidinyl]ethyl]amino]-oxomethyl]-2-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[5-[[(2R)-2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]carbamoyl]quinolin-2-yl]piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[5-[[(2R)-2-[4,4-bis(fluoranyl)piperidin-1-yl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]carbamoyl]quinolin-2-yl]piperazine-1-carboxylate
MOLECULAR FORMULA: C31H36F5N7O3
MOLECULAR WEIGHT: 649.654656
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=CC=CC(=C3C=C2)C(=O)NC[C@@H](C4=CN=C(N=C4)C(F)(F)F)N5CCC(CC5)(F)F
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Product OPENEYE NAME: 2-(azepan-1-yl)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholino-ethyl]quinoline-5-carboxamide
CAS Name: 2-(1-azepanyl)-N-[2-(2-methyl-5-pyrimidinyl)-2-(4-morpholinyl)ethyl]-5-quinolinecarboxamide
IUPAC NAME: 2-(azepan-1-yl)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide
SYSTEMATIC NAME: 2-(azepan-1-yl)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-yl-ethyl]quinoline-5-carboxamide
MOLECULAR FORMULA: C27H34N6O2
MOLECULAR WEIGHT: 474.59786
SMILES: CC1=NC=C(C=N1)C(CNC(=O)C2=C3C=CC(=NC3=CC=C2)N4CCCCCC4)N5CCOCC5
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Product OPENEYE NAME: N-[1-[4-allyl-5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CAS Name: N-[1-[5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
IUPAC NAME: N-[1-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
SYSTEMATIC NAME: N-[1-[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
MOLECULAR FORMULA: C23H25N5O3S
MOLECULAR WEIGHT: 451.5413
SMILES: CC(C1=NN=C(N1CC=C)SCC(=O)NC2=CC=C(C=C2)OC)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-cyclopropyl-5-(4-fluorophenyl)thiazol-4-yl]-[(3R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-piperidyl]methanone
CAS Name: [2-cyclopropyl-5-(4-fluorophenyl)-4-thiazolyl]-[(3R)-3-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-piperidinyl]methanone
IUPAC NAME: [2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[(3R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
SYSTEMATIC NAME: [2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[(3R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
MOLECULAR FORMULA: C24H26FN5O3S
MOLECULAR WEIGHT: 483.558343
SMILES: COC1=CC(=NC(=N1)N[C@@H]2CCCN(C2)C(=O)C3=C(SC(=N3)C4CC4)C5=CC=C(C=C5)F)OC
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Product OPENEYE NAME: N-[(3R)-1-[2-cyclopropyl-5-(m-tolyl)thiazole-4-carbonyl]-3-piperidyl]-1-methyl-indazole-3-carboxamide
CAS Name: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-4-thiazolyl]-oxomethyl]-3-piperidinyl]-1-methyl-3-indazolecarboxamide
IUPAC NAME: N-[(3R)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-1-methylindazole-3-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperidin-3-yl]-1-methyl-indazole-3-carboxamide
MOLECULAR FORMULA: C28H29N5O2S
MOLECULAR WEIGHT: 499.62716
SMILES: CC1=CC=CC(=C1)C2=C(N=C(S2)C3CC3)C(=O)N4CCC[C@H](C4)NC(=O)C5=NN(C6=CC=CC=C65)C
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Product OPENEYE NAME: N-[(3R)-1-[2-cyclopropyl-5-(m-tolyl)thiazole-4-carbonyl]-3-piperidyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CAS Name: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-4-thiazolyl]-oxomethyl]-3-piperidinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-carboxamide
IUPAC NAME: N-[(3R)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperidin-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
MOLECULAR FORMULA: C26H27N3O4S2
MOLECULAR WEIGHT: 509.64028
SMILES: CC1=CC=CC(=C1)C2=C(N=C(S2)C3CC3)C(=O)N4CCC[C@H](C4)NC(=O)C5=C6C(=CS5)OCCO6
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Product OPENEYE NAME: N-[(3R)-1-[2-cyclopropyl-5-(m-tolyl)thiazole-4-carbonyl]-3-piperidyl]imidazo[1,2-a]pyridine-3-carboxamide
CAS Name: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-4-thiazolyl]-oxomethyl]-3-piperidinyl]-3-imidazo[1,2-a]pyridinecarboxamide
IUPAC NAME: N-[(3R)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
MOLECULAR FORMULA: C27H27N5O2S
MOLECULAR WEIGHT: 485.60058
SMILES: CC1=CC=CC(=C1)C2=C(N=C(S2)C3CC3)C(=O)N4CCC[C@H](C4)NC(=O)C5=CN=C6N5C=CC=C6
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Product OPENEYE NAME: N-[(3R)-1-[2-cyclopropyl-5-(m-tolyl)thiazole-4-carbonyl]-3-piperidyl]-1,2-benzoxazole-3-carboxamide
CAS Name: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-4-thiazolyl]-oxomethyl]-3-piperidinyl]-1,2-benzoxazole-3-carboxamide
IUPAC NAME: N-[(3R)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-1,2-benzoxazole-3-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperidin-3-yl]-1,2-benzoxazole-3-carboxamide
MOLECULAR FORMULA: C27H26N4O3S
MOLECULAR WEIGHT: 486.58534
SMILES: CC1=CC=CC(=C1)C2=C(N=C(S2)C3CC3)C(=O)N4CCC[C@H](C4)NC(=O)C5=NOC6=CC=CC=C65
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Product OPENEYE NAME: 1-tert-butoxycarbonyl-4-[(2,6-ditert-butylpyridine-4-carbonyl)amino]piperidine-4-carboxylic acid
CAS Name: 4-[[(2,6-ditert-butyl-4-pyridinyl)-oxomethyl]amino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid
IUPAC NAME: 4-[(2,6-ditert-butylpyridine-4-carbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SYSTEMATIC NAME: 4-[(2,6-ditert-butylpyridin-4-yl)carbonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
MOLECULAR FORMULA: C25H39N3O5
MOLECULAR WEIGHT: 461.59426
SMILES: CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)O
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Product OPENEYE NAME: 1-[(3,5-ditert-butylphenyl)methylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
CAS Name: 1-[(3,5-ditert-butylphenyl)methylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1-cyclohexanecarboxamide
IUPAC NAME: 1-[(3,5-ditert-butylphenyl)methylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
SYSTEMATIC NAME: 1-[(3,5-ditert-butylphenyl)methylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
MOLECULAR FORMULA: C30H41F3N2O
MOLECULAR WEIGHT: 502.65455
SMILES: CC(C)(C)C1=CC(=CC(=C1)CNC2(CCCCC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)C(C)(C)C
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Product OPENEYE NAME: 3,5-ditert-butyl-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
CAS Name: 3,5-ditert-butyl-N-[1-[oxo-[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]benzamide
IUPAC NAME: 3,5-ditert-butyl-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
MOLECULAR FORMULA: C30H39F3N2O2
MOLECULAR WEIGHT: 516.63807
SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2(CCCCC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)C(C)(C)C
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Product OPENEYE NAME: N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-bis[2-(tert-butylamino)-1,1-dimethyl-2-oxo-ethyl]benzamide
CAS Name: 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[oxo-[(phenylmethyl)amino]methyl]cyclohexyl]benzamide
IUPAC NAME: N-[1-(benzylcarbamoyl)cyclohexyl]-3,5-bis[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]benzamide
SYSTEMATIC NAME: 3,5-bis[1-(tert-butylamino)-2-methyl-1-oxidanylidene-propan-2-yl]-N-[1-[(phenylmethyl)carbamoyl]cyclohexyl]benzamide
MOLECULAR FORMULA: C37H54N4O4
MOLECULAR WEIGHT: 618.84906
SMILES: CC(C)(C)NC(=O)C(C)(C)C1=CC(=CC(=C1)C(=O)NC2(CCCCC2)C(=O)NCC3=CC=CC=C3)C(C)(C)C(=O)NC(C)(C)C
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