Monday, May 27, 2013

All Chemical Compounds Information



Product OPENEYE NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-isopropyl-N,1,3-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,1,3-trimethyl-6-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,1,3-trimethyl-6-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C22H26N4O3
MOLECULAR WEIGHT: 394.46684
SMILES: CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)N(C)C[C@@H]3COC4=CC=CC=C4O3)C
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Product OPENEYE NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-isopropyl-N,1,3-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,1,3-trimethyl-6-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,1,3-trimethyl-6-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C22H26N4O3
MOLECULAR WEIGHT: 394.46684
SMILES: CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)N(C)C[C@H]3COC4=CC=CC=C4O3)C
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Product OPENEYE NAME: N-[2-(4-chloro-2,5-dimethoxy-anilino)-2-oxo-ethyl]-2,4-difluoro-benzamide
CAS Name: N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
IUPAC NAME: N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
SYSTEMATIC NAME: N-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C17H15ClF2N2O4
MOLECULAR WEIGHT: 384.761806
SMILES: COC1=CC(=C(C=C1NC(=O)CNC(=O)C2=C(C=C(C=C2)F)F)OC)Cl
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Product OPENEYE NAME: 5-methyl-N-[(1-morpholinocyclohexyl)methyl]-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxamide
CAS Name: 5-methyl-N-[[1-(4-morpholinyl)cyclohexyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxamide
IUPAC NAME: 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
SYSTEMATIC NAME: 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
MOLECULAR FORMULA: C22H28F3N5O2
MOLECULAR WEIGHT: 451.48523
SMILES: CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NCC3(CCCCC3)N4CCOCC4
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Product OPENEYE NAME: 1-(4-chlorophenyl)-5-methyl-N-[(1-morpholinocyclohexyl)methyl]pyrazole-4-carboxamide
CAS Name: 1-(4-chlorophenyl)-5-methyl-N-[[1-(4-morpholinyl)cyclohexyl]methyl]-4-pyrazolecarboxamide
IUPAC NAME: 1-(4-chlorophenyl)-5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-chlorophenyl)-5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide
MOLECULAR FORMULA: C22H29ClN4O2
MOLECULAR WEIGHT: 416.94426
SMILES: CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NCC3(CCCCC3)N4CCOCC4
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Product OPENEYE NAME: (3aS)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CAS Name: (3aS)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
IUPAC NAME: (3aS)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SYSTEMATIC NAME: (3aS)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
MOLECULAR FORMULA: C25H30N3O3S+
MOLECULAR WEIGHT: 452.589
SMILES: COC1=CC=C(C=C1)[C@@H](CNC(=O)[C@@]23CCC(=O)N2C4=CC=CC=C4S3)[NH+]5CCCCC5
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Product OPENEYE NAME: (3aS)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CAS Name: (3aS)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
IUPAC NAME: (3aS)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SYSTEMATIC NAME: (3aS)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
MOLECULAR FORMULA: C25H29N3O3S
MOLECULAR WEIGHT: 451.58106
SMILES: COC1=CC=C(C=C1)[C@@H](CNC(=O)[C@@]23CCC(=O)N2C4=CC=CC=C4S3)N5CCCCC5
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Product OPENEYE NAME: (3aS)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CAS Name: (3aS)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
IUPAC NAME: (3aS)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SYSTEMATIC NAME: (3aS)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
MOLECULAR FORMULA: C25H30N3O3S+
MOLECULAR WEIGHT: 452.589
SMILES: COC1=CC=C(C=C1)[C@H](CNC(=O)[C@@]23CCC(=O)N2C4=CC=CC=C4S3)[NH+]5CCCCC5
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Product OPENEYE NAME: (3aS)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CAS Name: (3aS)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
IUPAC NAME: (3aS)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SYSTEMATIC NAME: (3aS)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
MOLECULAR FORMULA: C25H29N3O3S
MOLECULAR WEIGHT: 451.58106
SMILES: COC1=CC=C(C=C1)[C@H](CNC(=O)[C@@]23CCC(=O)N2C4=CC=CC=C4S3)N5CCCCC5
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Product OPENEYE NAME: (3aR)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CAS Name: (3aR)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
IUPAC NAME: (3aR)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SYSTEMATIC NAME: (3aR)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
MOLECULAR FORMULA: C25H30N3O3S+
MOLECULAR WEIGHT: 452.589
SMILES: COC1=CC=C(C=C1)[C@@H](CNC(=O)[C@]23CCC(=O)N2C4=CC=CC=C4S3)[NH+]5CCCCC5
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Product OPENEYE NAME: (3aR)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CAS Name: (3aR)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
IUPAC NAME: (3aR)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SYSTEMATIC NAME: (3aR)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
MOLECULAR FORMULA: C25H29N3O3S
MOLECULAR WEIGHT: 451.58106
SMILES: COC1=CC=C(C=C1)[C@@H](CNC(=O)[C@]23CCC(=O)N2C4=CC=CC=C4S3)N5CCCCC5
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