Saturday, October 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3,3-dimethyl-5-[(1-methylindazol-3-yl)amino]-5-oxo-pentanoic acid
CAS Name: 3,3-dimethyl-5-[(1-methyl-3-indazolyl)amino]-5-oxopentanoic acid
IUPAC NAME: 3,3-dimethyl-5-[(1-methylindazol-3-yl)amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 3,3-dimethyl-5-[(1-methylindazol-3-yl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C15H19N3O3
MOLECULAR WEIGHT: 289.32966
SMILES: CC(C)(CC(=O)NC1=NN(C2=CC=CC=C21)C)CC(=O)O
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Product OPENEYE NAME: 5-[(4-fluoro-1-methyl-indazol-3-yl)amino]-3,3-dimethyl-5-oxo-pentanoic acid
CAS Name: 5-[(4-fluoro-1-methyl-3-indazolyl)amino]-3,3-dimethyl-5-oxopentanoic acid
IUPAC NAME: 5-[(4-fluoro-1-methylindazol-3-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[(4-fluoranyl-1-methyl-indazol-3-yl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C15H18FN3O3
MOLECULAR WEIGHT: 307.320123
SMILES: CC(C)(CC(=O)NC1=NN(C2=C1C(=CC=C2)F)C)CC(=O)O
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Product OPENEYE NAME: (4-benzyl-1,4-diazepan-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CAS Name: (5-methoxy-1H-indol-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone
IUPAC NAME: (4-benzyl-1,4-diazepan-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
SYSTEMATIC NAME: (5-methoxy-1H-indol-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone
MOLECULAR FORMULA: C22H25N3O2
MOLECULAR WEIGHT: 363.4528
SMILES: COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4
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Product OPENEYE NAME: (4-benzyl-1-piperidyl)-(5-methoxy-1H-indol-2-yl)methanone
CAS Name: (5-methoxy-1H-indol-2-yl)-[4-(phenylmethyl)-1-piperidinyl]methanone
IUPAC NAME: (4-benzylpiperidin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
SYSTEMATIC NAME: (5-methoxy-1H-indol-2-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone
MOLECULAR FORMULA: C22H24N2O2
MOLECULAR WEIGHT: 348.43816
SMILES: COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4
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Product OPENEYE NAME: 5-methoxy-N,N-bis(2-pyridylmethyl)-1H-indole-2-carboxamide
CAS Name: 5-methoxy-N,N-bis(2-pyridinylmethyl)-1H-indole-2-carboxamide
IUPAC NAME: 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
SYSTEMATIC NAME: 5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
MOLECULAR FORMULA: C22H20N4O2
MOLECULAR WEIGHT: 372.4198
SMILES: COC1=CC2=C(C=C1)NC(=C2)C(=O)N(CC3=CC=CC=N3)CC4=CC=CC=N4
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Product OPENEYE NAME: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
IUPAC NAME: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SYSTEMATIC NAME: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
MOLECULAR FORMULA: C22H24FN3O2
MOLECULAR WEIGHT: 381.443263
SMILES: COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F
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Product OPENEYE NAME: 1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]piperidine-4-carboxamide
CAS Name: 1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C17H26N2O4
MOLECULAR WEIGHT: 322.39934
SMILES: COC1=CC=C(C=C1)COCC(CN2CCC(CC2)C(=O)N)O
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Product OPENEYE NAME: 1-(indan-2-ylamino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CAS Name: 1-(2,3-dihydro-1H-inden-2-ylamino)-3-[(4-methoxyphenyl)methoxy]-2-propanol
IUPAC NAME: 1-(2,3-dihydro-1H-inden-2-ylamino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol
SYSTEMATIC NAME: 1-(2,3-dihydro-1H-inden-2-ylamino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol
MOLECULAR FORMULA: C20H25NO3
MOLECULAR WEIGHT: 327.4174
SMILES: COC1=CC=C(C=C1)COCC(CNC2CC3=CC=CC=C3C2)O
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Product OPENEYE NAME: 1-[(4-methoxyphenyl)methoxy]-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propan-2-ol
CAS Name: 1-[(4-methoxyphenyl)methoxy]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-propanol
IUPAC NAME: 1-[(4-methoxyphenyl)methoxy]-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methoxy]-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C21H26F3N3O3
MOLECULAR WEIGHT: 425.44465
SMILES: COC1=CC=C(C=C1)COCC(CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)O
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Product OPENEYE NAME: 2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylindan-1-one
CAS Name: 2-[[1-[4-(dimethylamino)phenyl]-5-tetrazolyl]thio]-2,3-dihydroinden-1-one
IUPAC NAME: 2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 2-[[1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C18H17N5OS
MOLECULAR WEIGHT: 351.42548
SMILES: CN(C)C1=CC=C(C=C1)N2C(=NN=N2)SC3CC4=CC=CC=C4C3=O
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Product OPENEYE NAME: 2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-1-(4-fluorophenyl)ethanone
CAS Name: 2-[[1-[4-(dimethylamino)phenyl]-5-tetrazolyl]thio]-1-(4-fluorophenyl)ethanone
IUPAC NAME: 2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-1-(4-fluorophenyl)ethanone
SYSTEMATIC NAME: 2-[[1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
MOLECULAR FORMULA: C17H16FN5OS
MOLECULAR WEIGHT: 357.405243
SMILES: CN(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-(benzofuran-2-yl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanyl-ethanone
CAS Name: 1-(2-benzofuranyl)-2-[[1-[4-(dimethylamino)phenyl]-5-tetrazolyl]thio]ethanone
IUPAC NAME: 1-(1-benzofuran-2-yl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylethanone
SYSTEMATIC NAME: 1-(1-benzofuran-2-yl)-2-[[1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C19H17N5O2S
MOLECULAR WEIGHT: 379.43558
SMILES: CN(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=CC=CC=C4O3
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Product OPENEYE NAME: 4-(5-benzhydrylsulfanyltetrazol-1-yl)-N,N-dimethyl-aniline
CAS Name: 4-[5-[(diphenylmethyl)thio]-1-tetrazolyl]-N,N-dimethylaniline
IUPAC NAME: 4-(5-benzhydrylsulfanyltetrazol-1-yl)-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[5-(diphenylmethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C22H21N5S
MOLECULAR WEIGHT: 387.50064
SMILES: CN(C)C1=CC=C(C=C1)N2C(=NN=N2)SC(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]piperidine-4-carboxamide
CAS Name: 1-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C16H22N2O5
MOLECULAR WEIGHT: 322.35628
SMILES: C1CN(CCC1C(=O)N)CC(COC2=CC3=C(C=C2)OCO3)O
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Product OPENEYE NAME: 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-ethanone
CAS Name: 1-(4-fluorophenyl)-2-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]ethanone
IUPAC NAME: 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
SYSTEMATIC NAME: 1-(4-fluorophenyl)-2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C15H11FN4O2S
MOLECULAR WEIGHT: 330.336843
SMILES: C1=CC(=CC=C1C(=O)CSC2=NN=NN2C3=CC=C(C=C3)O)F
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Product OPENEYE NAME: 1-[4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]ethanone
CAS Name: 1-[4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]ethanone
IUPAC NAME: 1-[4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone
MOLECULAR FORMULA: C28H32N2O3
MOLECULAR WEIGHT: 444.56528
SMILES: CC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O
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Product OPENEYE NAME: 1-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxy-propoxy]phenyl]ethanone
CAS Name: 1-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropoxy]phenyl]ethanone
IUPAC NAME: 1-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropoxy]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanyl-propoxy]phenyl]ethanone
MOLECULAR FORMULA: C19H21NO5
MOLECULAR WEIGHT: 343.37374
SMILES: CC(=O)C1=CC=C(C=C1)OCC(CNCC2=CC3=C(C=C2)OCO3)O
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Product OPENEYE NAME: 1-[3-(4-acetylphenoxy)-2-hydroxy-propyl]piperidine-4-carboxamide
CAS Name: 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C17H24N2O4
MOLECULAR WEIGHT: 320.38346
SMILES: CC(=O)C1=CC=C(C=C1)OCC(CN2CCC(CC2)C(=O)N)O
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Product OPENEYE NAME: 1-[4-[2-hydroxy-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propoxy]phenyl]ethanone
CAS Name: 1-[4-[2-hydroxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propoxy]phenyl]ethanone
IUPAC NAME: 1-[4-[2-hydroxy-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propoxy]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[2-oxidanyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propoxy]phenyl]ethanone
MOLECULAR FORMULA: C21H24F3N3O3
MOLECULAR WEIGHT: 423.42877
SMILES: CC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)O
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Product OPENEYE NAME: 1-(4-benzhydrylpiperazin-1-yl)-3-phenylsulfanyl-propan-2-ol
CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-(phenylthio)-2-propanol
IUPAC NAME: 1-(4-benzhydrylpiperazin-1-yl)-3-phenylsulfanylpropan-2-ol
SYSTEMATIC NAME: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-phenylsulfanyl-propan-2-ol
MOLECULAR FORMULA: C26H30N2OS
MOLECULAR WEIGHT: 418.5942
SMILES: C1CN(CCN1CC(CSC2=CC=CC=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-phenylsulfanyl-propan-2-ol
CAS Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(phenylthio)-2-propanol
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-phenylsulfanylpropan-2-ol
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethylamino)-3-phenylsulfanyl-propan-2-ol
MOLECULAR FORMULA: C17H19NO3S
MOLECULAR WEIGHT: 317.40266
SMILES: C1OC2=C(O1)C=C(C=C2)CNCC(CSC3=CC=CC=C3)O
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Product OPENEYE NAME: 1-(2-hydroxy-3-phenylsulfanyl-propyl)piperidine-4-carboxamide
CAS Name: 1-[2-hydroxy-3-(phenylthio)propyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(2-oxidanyl-3-phenylsulfanyl-propyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C15H22N2O2S
MOLECULAR WEIGHT: 294.41238
SMILES: C1CN(CCC1C(=O)N)CC(CSC2=CC=CC=C2)O
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Product OPENEYE NAME: 1-phenylsulfanyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propan-2-ol
CAS Name: 1-(phenylthio)-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-propanol
IUPAC NAME: 1-phenylsulfanyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-phenylsulfanyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C19H22F3N3OS
MOLECULAR WEIGHT: 397.45769
SMILES: C1CN(CCN1CC(CSC2=CC=CC=C2)O)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 4-chloro-N'-[4-(4-fluorophenyl)thiazol-2-yl]benzohydrazide
CAS Name: 4-chloro-N'-[4-(4-fluorophenyl)-2-thiazolyl]benzohydrazide
IUPAC NAME: 4-chloro-N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide
SYSTEMATIC NAME: 4-chloranyl-N'-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzohydrazide
MOLECULAR FORMULA: C16H11ClFN3OS
MOLECULAR WEIGHT: 347.794443
SMILES: C1=CC(=CC=C1C2=CSC(=N2)NNC(=O)C3=CC=C(C=C3)Cl)F
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