Saturday, November 26, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[1-acetyl-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-piperidyl]-5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carboxamide
CAS Name: N-[1-acetyl-3-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-4-piperidinyl]-5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carboxamide
IUPAC NAME: N-[1-acetyl-3-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-4-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SYSTEMATIC NAME: N-[3-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-1-ethanoyl-piperidin-4-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
MOLECULAR FORMULA: C24H27ClN6O3S
MOLECULAR WEIGHT: 515.02758
SMILES: CC(=O)N1CCC(C(C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)NC(=O)C4=NC5=C(S4)CN(CC5)C
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Product OPENEYE NAME: 3-[(2-amino-6-methyl-3-pyridyl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazol-2-one
CAS Name: 3-[(2-amino-6-methyl-3-pyridinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2-thiazolone
IUPAC NAME: 3-[(2-amino-6-methylpyridin-3-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
SYSTEMATIC NAME: 3-[(2-azanyl-6-methyl-pyridin-3-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
MOLECULAR FORMULA: C13H17N3O2S
MOLECULAR WEIGHT: 279.35798
SMILES: CC1=NC(=C(C=C1)CN2C(=C(SC2=O)CCO)C)N
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Product OPENEYE NAME: (2R)-2-[[2-[(2,3-difluorophenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol
CAS Name: (2R)-2-[[2-[(2,3-difluorophenyl)methylthio]-4-pteridinyl]amino]-1-propanol
IUPAC NAME: (2R)-2-[[2-[(2,3-difluorophenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol
SYSTEMATIC NAME: (2R)-2-[[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]pteridin-4-yl]amino]propan-1-ol
MOLECULAR FORMULA: C16H15F2N5OS
MOLECULAR WEIGHT: 363.385006
SMILES: C[C@H](CO)NC1=NC(=NC2=NC=CN=C21)SCC3=C(C(=CC=C3)F)F
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Product OPENEYE NAME: 4-[2-[(2R)-2-[(E,3S)-3-(1-butylcyclobutyl)-3-hydroxy-prop-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid
CAS Name: 4-[2-[(2R)-2-[(E,3S)-3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[(2R)-2-[(E,3S)-3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[(2R)-2-[(E,3S)-3-(1-butylcyclobutyl)-3-oxidanyl-prop-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C24H33NO4
MOLECULAR WEIGHT: 399.52312
SMILES: CCCCC1(CCC1)[C@H](/C=C/[C@H]2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O
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Product OPENEYE NAME: (4Z)-4-[(2Z,5Z,7Z)-3,5-bis(benzyloxyamino)-7-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hepta-2,5-dienylidene]-2-methoxy-cyclohexa-2,5-dien-1-one
CAS Name: (4Z)-2-methoxy-4-[(2Z,5Z,7Z)-7-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3,5-bis(phenylmethoxyamino)hepta-2,5-dienylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: (4Z)-2-methoxy-4-[(2Z,5Z,7Z)-7-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3,5-bis(phenylmethoxyamino)hepta-2,5-dienylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4Z)-2-methoxy-4-[(2Z,5Z,7Z)-7-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3,5-bis(phenylmethoxyamino)hepta-2,5-dienylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C35H34N2O6
MOLECULAR WEIGHT: 578.65426
SMILES: COC1=C/C(=C\C=C(/NOCC2=CC=CC=C2)\C/C(=C/C=C/3\C=C(C(=O)C=C3)OC)/NOCC4=CC=CC=C4)/C=CC1=O
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Product OPENEYE NAME: (1E,4Z,6E)-5-(ethylamino)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one
CAS Name: (1E,4Z,6E)-5-(ethylamino)-1,7-bis(4-hydroxy-3-methoxyphenyl)-3-hepta-1,4,6-trienone
IUPAC NAME: (1E,4Z,6E)-5-(ethylamino)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
SYSTEMATIC NAME: (1E,4Z,6E)-5-(ethylamino)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,4,6-trien-3-one
MOLECULAR FORMULA: C23H25NO5
MOLECULAR WEIGHT: 395.4483
SMILES: CCN/C(=C\C(=O)/C=C/C1=CC(=C(C=C1)O)OC)/C=C/C2=CC(=C(C=C2)O)OC
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Product OPENEYE NAME: methyl 2,4-dichloro-6-[3-fluoro-4-[(1R)-1-[[1-[(3-methoxyisoxazole-5-carbonyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
CAS Name: 2,4-dichloro-6-[3-fluoro-4-[(1R)-1-[[[1-[[(3-methoxy-5-isoxazolyl)-oxomethyl]amino]cyclopropyl]-oxomethyl]amino]ethyl]phenyl]benzoic acid methyl ester
IUPAC NAME: methyl 2,4-dichloro-6-[3-fluoro-4-[(1R)-1-[[1-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
SYSTEMATIC NAME: methyl 2,4-bis(chloranyl)-6-[3-fluoranyl-4-[(1R)-1-[[1-[(3-methoxy-1,2-oxazol-5-yl)carbonylamino]cyclopropyl]carbonylamino]ethyl]phenyl]benzoate
MOLECULAR FORMULA: C25H22Cl2FN3O6
MOLECULAR WEIGHT: 550.363083
SMILES: C[C@H](C1=C(C=C(C=C1)C2=CC(=CC(=C2C(=O)OC)Cl)Cl)F)NC(=O)C3(CC3)NC(=O)C4=CC(=NO4)OC
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Product OPENEYE NAME: N-[6-bromo-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-imidazole-4-sulfonamide
CAS Name: N-[6-bromo-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-4-imidazolesulfonamide
IUPAC NAME: N-[6-bromo-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methylimidazole-4-sulfonamide
SYSTEMATIC NAME: N-[6-bromanyl-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-imidazole-4-sulfonamide
MOLECULAR FORMULA: C18H21BrN6O2S
MOLECULAR WEIGHT: 465.36734
SMILES: CN1C=C(N=C1)S(=O)(=O)NC2CC3=C(C=CC(=C3)Br)N(C2)CC4=CN=CN4C
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Product OPENEYE NAME: N-[(1R)-1-[5-(3,5-dichloro-2-ethoxy-phenyl)-3-fluoro-2-pyridyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarboxamide
CAS Name: N-[(1R)-1-[5-(3,5-dichloro-2-ethoxyphenyl)-3-fluoro-2-pyridinyl]ethyl]-1-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-cyclopropanecarboxamide
IUPAC NAME: N-[(1R)-1-[5-(3,5-dichloro-2-ethoxyphenyl)-3-fluoropyridin-2-yl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-[5-[3,5-bis(chloranyl)-2-ethoxy-phenyl]-3-fluoranyl-pyridin-2-yl]ethyl]-1-[2,2,2-tris(fluoranyl)ethanoylamino]cyclopropane-1-carboxamide
MOLECULAR FORMULA: C21H19Cl2F4N3O3
MOLECULAR WEIGHT: 508.293473
SMILES: CCOC1=C(C=C(C=C1C2=CC(=C(N=C2)[C@@H](C)NC(=O)C3(CC3)NC(=O)C(F)(F)F)F)Cl)Cl
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Product OPENEYE NAME: N-[1-[[(1R)-1-[5-(3,5-dichloro-2-ethoxy-phenyl)-3-fluoro-2-pyridyl]ethyl]carbamoyl]cyclopropyl]isoxazole-5-carboxamide
CAS Name: N-[1-[[[(1R)-1-[5-(3,5-dichloro-2-ethoxyphenyl)-3-fluoro-2-pyridinyl]ethyl]amino]-oxomethyl]cyclopropyl]-5-isoxazolecarboxamide
IUPAC NAME: N-[1-[[(1R)-1-[5-(3,5-dichloro-2-ethoxyphenyl)-3-fluoropyridin-2-yl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide
SYSTEMATIC NAME: N-[1-[[(1R)-1-[5-[3,5-bis(chloranyl)-2-ethoxy-phenyl]-3-fluoranyl-pyridin-2-yl]ethyl]carbamoyl]cyclopropyl]-1,2-oxazole-5-carboxamide
MOLECULAR FORMULA: C23H21Cl2FN4O4
MOLECULAR WEIGHT: 507.341643
SMILES: CCOC1=C(C=C(C=C1C2=CC(=C(N=C2)[C@@H](C)NC(=O)C3(CC3)NC(=O)C4=CC=NO4)F)Cl)Cl
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Product OPENEYE NAME: sodium 3-[(2-benzyloxy-5-chloro-phenyl)methyl]benzoate
CAS Name: sodium 3-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzoate
IUPAC NAME: sodium 3-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzoate
SYSTEMATIC NAME: sodium 3-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]benzoate
MOLECULAR FORMULA: C21H16ClNaO3
MOLECULAR WEIGHT: 374.79271
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=CC=CC(=C3)C(=O)[O-].[Na+]
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Product OPENEYE NAME: 3-[(2-benzyloxy-5-chloro-phenyl)methyl]benzoic acid
CAS Name: 3-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzoic acid
IUPAC NAME: 3-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzoic acid
SYSTEMATIC NAME: 3-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]benzoic acid
MOLECULAR FORMULA: C21H17ClO3
MOLECULAR WEIGHT: 352.81088
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=CC=CC(=C3)C(=O)O
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Product OPENEYE NAME: 2-[[cyclohexyl-(3,5-dichlorophenyl)sulfonyl-amino]methyl]-5-(2-naphthylmethyl)-1H-imidazole-4-carboxylic acid
CAS Name: 2-[[cyclohexyl-(3,5-dichlorophenyl)sulfonylamino]methyl]-5-(2-naphthalenylmethyl)-1H-imidazole-4-carboxylic acid
IUPAC NAME: 2-[[cyclohexyl-(3,5-dichlorophenyl)sulfonylamino]methyl]-5-(naphthalen-2-ylmethyl)-1H-imidazole-4-carboxylic acid
SYSTEMATIC NAME: 2-[[[3,5-bis(chloranyl)phenyl]sulfonyl-cyclohexyl-amino]methyl]-5-(naphthalen-2-ylmethyl)-1H-imidazole-4-carboxylic acid
MOLECULAR FORMULA: C28H27Cl2N3O4S
MOLECULAR WEIGHT: 572.50268
SMILES: C1CCC(CC1)N(CC2=NC(=C(N2)CC3=CC4=CC=CC=C4C=C3)C(=O)O)S(=O)(=O)C5=CC(=CC(=C5)Cl)Cl
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Product OPENEYE NAME: N1-[(1S,2R)-2-[(2R)-azetidin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide
CAS Name: N1-[(1R,2S)-1-[(2R)-2-azetidinyl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide
IUPAC NAME: 1-N-[(1R,2S)-1-[(2R)-azetidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SYSTEMATIC NAME: N1-[(1R,2S)-1-[(2R)-azetidin-2-yl]-3-[3,5-bis(fluoranyl)phenyl]-1-oxidanyl-propan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C27H35F2N3O3
MOLECULAR WEIGHT: 487.581906
SMILES: CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)[C@@H]([C@H]3CCN3)O)C
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Product OPENEYE NAME: 2-[1-[(3,5-dichlorophenyl)sulfonyl-methyl-amino]-2-methyl-propyl]-5-(2-naphthylmethyl)-1H-imidazole-4-carboxylic acid
CAS Name: 2-[1-[(3,5-dichlorophenyl)sulfonyl-methylamino]-2-methylpropyl]-5-(2-naphthalenylmethyl)-1H-imidazole-4-carboxylic acid
IUPAC NAME: 2-[1-[(3,5-dichlorophenyl)sulfonyl-methylamino]-2-methylpropyl]-5-(naphthalen-2-ylmethyl)-1H-imidazole-4-carboxylic acid
SYSTEMATIC NAME: 2-[1-[[3,5-bis(chloranyl)phenyl]sulfonyl-methyl-amino]-2-methyl-propyl]-5-(naphthalen-2-ylmethyl)-1H-imidazole-4-carboxylic acid
MOLECULAR FORMULA: C26H25Cl2N3O4S
MOLECULAR WEIGHT: 546.4654
SMILES: CC(C)C(C1=NC(=C(N1)CC2=CC3=CC=CC=C3C=C2)C(=O)O)N(C)S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl
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Product OPENEYE NAME: 3-cyclohexyl-5-methyl-4-(4-octylphenyl)-1H-imidazol-2-one
CAS Name: 3-cyclohexyl-5-methyl-4-(4-octylphenyl)-1H-imidazol-2-one
IUPAC NAME: 3-cyclohexyl-5-methyl-4-(4-octylphenyl)-1H-imidazol-2-one
SYSTEMATIC NAME: 3-cyclohexyl-5-methyl-4-(4-octylphenyl)-1H-imidazol-2-one
MOLECULAR FORMULA: C24H36N2O
MOLECULAR WEIGHT: 368.55544
SMILES: CCCCCCCCC1=CC=C(C=C1)C2=C(NC(=O)N2C3CCCCC3)C
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Product OPENEYE NAME: 3-cyclohexyl-4-(4-heptylphenyl)-5-methyl-1H-imidazol-2-one
CAS Name: 3-cyclohexyl-4-(4-heptylphenyl)-5-methyl-1H-imidazol-2-one
IUPAC NAME: 3-cyclohexyl-4-(4-heptylphenyl)-5-methyl-1H-imidazol-2-one
SYSTEMATIC NAME: 3-cyclohexyl-4-(4-heptylphenyl)-5-methyl-1H-imidazol-2-one
MOLECULAR FORMULA: C23H34N2O
MOLECULAR WEIGHT: 354.52886
SMILES: CCCCCCCC1=CC=C(C=C1)C2=C(NC(=O)N2C3CCCCC3)C
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Product OPENEYE NAME: 3-cyclohexyl-4-(4-heptoxyphenyl)-5-methyl-1H-imidazol-2-one
CAS Name: 3-cyclohexyl-4-(4-heptoxyphenyl)-5-methyl-1H-imidazol-2-one
IUPAC NAME: 3-cyclohexyl-4-(4-heptoxyphenyl)-5-methyl-1H-imidazol-2-one
SYSTEMATIC NAME: 3-cyclohexyl-4-(4-heptoxyphenyl)-5-methyl-1H-imidazol-2-one
MOLECULAR FORMULA: C23H34N2O2
MOLECULAR WEIGHT: 370.52826
SMILES: CCCCCCCOC1=CC=C(C=C1)C2=C(NC(=O)N2C3CCCCC3)C
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Product OPENEYE NAME: 3,5-dimethyl-4-(4-propylphenyl)-1H-imidazol-2-one
CAS Name: 3,5-dimethyl-4-(4-propylphenyl)-1H-imidazol-2-one
IUPAC NAME: 3,5-dimethyl-4-(4-propylphenyl)-1H-imidazol-2-one
SYSTEMATIC NAME: 3,5-dimethyl-4-(4-propylphenyl)-1H-imidazol-2-one
MOLECULAR FORMULA: C14H18N2O
MOLECULAR WEIGHT: 230.30552
SMILES: CCCC1=CC=C(C=C1)C2=C(NC(=O)N2C)C
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Product OPENEYE NAME: methyl 2-methyl-1-[(1R,5S)-8-[3-[N-(p-tolylcarbamoyl)anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CAS Name: 2-methyl-1-[(1R,5S)-8-[3-(N-[(4-methylanilino)-oxomethyl]anilino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid methyl ester
IUPAC NAME: methyl 2-methyl-1-[(1R,5S)-8-[3-[N-[(4-methylphenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SYSTEMATIC NAME: methyl 2-methyl-1-[(1R,5S)-8-[3-[(4-methylphenyl)carbamoyl-phenyl-amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
MOLECULAR FORMULA: C33H42N6O3
MOLECULAR WEIGHT: 570.72498
SMILES: CC1=CC=C(C=C1)NC(=O)N(CCCN2[C@@H]3CC[C@H]2CC(C3)N4C(=NC5=C4CCN(C5)C(=O)OC)C)C6=CC=CC=C6
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Product OPENEYE NAME: 4-(4-isopropoxyphenyl)-3,5-dimethyl-1H-imidazol-2-one
CAS Name: 3,5-dimethyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-one
IUPAC NAME: 3,5-dimethyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-one
SYSTEMATIC NAME: 3,5-dimethyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-2-one
MOLECULAR FORMULA: C14H18N2O2
MOLECULAR WEIGHT: 246.30492
SMILES: CC1=C(N(C(=O)N1)C)C2=CC=C(C=C2)OC(C)C
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