Tuesday, March 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
IUPAC NAME: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SYSTEMATIC NAME: 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide
MOLECULAR FORMULA: C25H24N4O3S
MOLECULAR WEIGHT: 460.54806
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4CCN(CC4)C(=O)C5=CC=CO5
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Product OPENEYE NAME: 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]piperidine-4-carboxamide
CAS Name: 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C22H24N4O2S
MOLECULAR WEIGHT: 408.51656
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4CCC(CC4)C(=O)N
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Product OPENEYE NAME: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CAS Name: 2-[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide
IUPAC NAME: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)ethanamide
MOLECULAR FORMULA: C21H22FN5OS
MOLECULAR WEIGHT: 411.495683
SMILES: C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)F)C4=CN=CC=C4
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Product OPENEYE NAME: [(4S)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2R)-2-(1,3-dioxoisoindolin-2-yl)propanoate
CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)propanoic acid [(4S)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] ester
IUPAC NAME: [(4S)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SYSTEMATIC NAME: [(4S)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate
MOLECULAR FORMULA: C23H24N2O4
MOLECULAR WEIGHT: 392.44766
SMILES: C[C@H]1CC(NC2=C1C=C(C=C2)OC(=O)[C@@H](C)N3C(=O)C4=CC=CC=C4C3=O)(C)C
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Product OPENEYE NAME: [(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2R)-2-(1,3-dioxoisoindolin-2-yl)propanoate
CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)propanoic acid [(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] ester
IUPAC NAME: [(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SYSTEMATIC NAME: [(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate
MOLECULAR FORMULA: C23H24N2O4
MOLECULAR WEIGHT: 392.44766
SMILES: C[C@@H]1CC(NC2=C1C=C(C=C2)OC(=O)[C@@H](C)N3C(=O)C4=CC=CC=C4C3=O)(C)C
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Product OPENEYE NAME: [(4S)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2S)-2-(1,3-dioxoisoindolin-2-yl)propanoate
CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)propanoic acid [(4S)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] ester
IUPAC NAME: [(4S)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
SYSTEMATIC NAME: [(4S)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate
MOLECULAR FORMULA: C23H24N2O4
MOLECULAR WEIGHT: 392.44766
SMILES: C[C@H]1CC(NC2=C1C=C(C=C2)OC(=O)[C@H](C)N3C(=O)C4=CC=CC=C4C3=O)(C)C
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Product OPENEYE NAME: [(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2S)-2-(1,3-dioxoisoindolin-2-yl)propanoate
CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)propanoic acid [(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] ester
IUPAC NAME: [(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
SYSTEMATIC NAME: [(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate
MOLECULAR FORMULA: C23H24N2O4
MOLECULAR WEIGHT: 392.44766
SMILES: C[C@@H]1CC(NC2=C1C=C(C=C2)OC(=O)[C@H](C)N3C(=O)C4=CC=CC=C4C3=O)(C)C
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Product OPENEYE NAME: N-[4-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxo-pyrrolidin-1-yl]phenyl]acetamide
CAS Name: N-[4-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]phenyl]acetamide
IUPAC NAME: N-[4-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]ethanamide
MOLECULAR FORMULA: C24H26N4O5
MOLECULAR WEIGHT: 450.48704
SMILES: CC(=O)NC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
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Product OPENEYE NAME: 2-[(1S)-1-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]isoindoline-1,3-dione
CAS Name: 2-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
IUPAC NAME: 2-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C26H22N2O3
MOLECULAR WEIGHT: 410.46448
SMILES: C1CN(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O
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Product OPENEYE NAME: 2-[(1R)-1-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]isoindoline-1,3-dione
CAS Name: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
IUPAC NAME: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C26H22N2O3
MOLECULAR WEIGHT: 410.46448
SMILES: C1CN(CC2=CC=CC=C21)C(=O)[C@@H](CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O
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Product OPENEYE NAME: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C17H16N4O4S
MOLECULAR WEIGHT: 372.39834
SMILES: CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone
CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone
IUPAC NAME: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SYSTEMATIC NAME: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone
MOLECULAR FORMULA: C23H19N5OS
MOLECULAR WEIGHT: 413.49486
SMILES: C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NN=NN4C5=CC=CC=C5
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Product OPENEYE NAME: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] piperidine-1-carbodithioate
CAS Name: 1-piperidinecarbodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] piperidine-1-carbodithioate
SYSTEMATIC NAME: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] piperidine-1-carbodithioate
MOLECULAR FORMULA: C22H24N2OS2
MOLECULAR WEIGHT: 396.56876
SMILES: C1CCN(CC1)C(=S)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42
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Product OPENEYE NAME: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] morpholine-4-carbodithioate
CAS Name: 4-morpholinecarbodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] morpholine-4-carbodithioate
SYSTEMATIC NAME: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] morpholine-4-carbodithioate
MOLECULAR FORMULA: C21H22N2O2S2
MOLECULAR WEIGHT: 398.54158
SMILES: C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC(=S)N4CCOCC4
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