Friday, May 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(3,3-dimethylbutanoyl)-N-methyl-piperidine-4-carboxamide
CAS Name: 1-(3,3-dimethyl-1-oxobutyl)-N-methyl-4-piperidinecarboxamide
IUPAC NAME: 1-(3,3-dimethylbutanoyl)-N-methylpiperidine-4-carboxamide
SYSTEMATIC NAME: 1-(3,3-dimethylbutanoyl)-N-methyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C13H24N2O2
MOLECULAR WEIGHT: 240.34186
SMILES: CC(C)(C)CC(=O)N1CCC(CC1)C(=O)NC
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Product OPENEYE NAME: 1-(indane-5-carbonyl)-N-methyl-piperidine-4-carboxamide
CAS Name: 1-[2,3-dihydro-1H-inden-5-yl(oxo)methyl]-N-methyl-4-piperidinecarboxamide
IUPAC NAME: 1-(2,3-dihydro-1H-indene-5-carbonyl)-N-methylpiperidine-4-carboxamide
SYSTEMATIC NAME: 1-(2,3-dihydro-1H-inden-5-ylcarbonyl)-N-methyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: CNC(=O)C1CCN(CC1)C(=O)C2=CC3=C(CCC3)C=C2
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Product OPENEYE NAME: 1-(3-methoxy-4-methyl-benzoyl)-N-methyl-piperidine-4-carboxamide
CAS Name: 1-[(3-methoxy-4-methylphenyl)-oxomethyl]-N-methyl-4-piperidinecarboxamide
IUPAC NAME: 1-(3-methoxy-4-methylbenzoyl)-N-methylpiperidine-4-carboxamide
SYSTEMATIC NAME: 1-(3-methoxy-4-methyl-phenyl)carbonyl-N-methyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC)OC
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Product OPENEYE NAME: N-methyl-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-4-carboxamide
CAS Name: N-methyl-1-[oxo-[6-oxo-1-(2-phenoxyethyl)-3-pyridazinyl]methyl]-4-piperidinecarboxamide
IUPAC NAME: N-methyl-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-4-carboxamide
SYSTEMATIC NAME: N-methyl-1-[6-oxidanylidene-1-(2-phenoxyethyl)pyridazin-3-yl]carbonyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C20H24N4O4
MOLECULAR WEIGHT: 384.42896
SMILES: CNC(=O)C1CCN(CC1)C(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3
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Product OPENEYE NAME: 1-[1-[(2-chlorophenyl)methyl]-6-oxo-pyridine-3-carbonyl]-N-methyl-piperidine-4-carboxamide
CAS Name: 1-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-oxomethyl]-N-methyl-4-piperidinecarboxamide
IUPAC NAME: 1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-N-methylpiperidine-4-carboxamide
SYSTEMATIC NAME: 1-[1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonyl-N-methyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C20H22ClN3O3
MOLECULAR WEIGHT: 387.85998
SMILES: CNC(=O)C1CCN(CC1)C(=O)C2=CN(C(=O)C=C2)CC3=CC=CC=C3Cl
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Product OPENEYE NAME: (3R)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3R)-N-[[2-(1-imidazolylmethyl)phenyl]methyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C22H26N4O3S2
MOLECULAR WEIGHT: 458.59684
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCC3=CC=CC=C3CN4C=CN=C4
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Product OPENEYE NAME: (3S)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3S)-N-[[2-(1-imidazolylmethyl)phenyl]methyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3S)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C22H26N4O3S2
MOLECULAR WEIGHT: 458.59684
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3CN4C=CN=C4
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Product OPENEYE NAME: N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1,3,5-trimethyl-pyrazole-4-carboxamide
CAS Name: N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1,3,5-trimethyl-4-pyrazolecarboxamide
IUPAC NAME: N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1,3,5-trimethyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C17H23N3O2
MOLECULAR WEIGHT: 301.38342
SMILES: CCOC1=CC=C(C=C1)[C@@H](C)NC(=O)C2=C(N(N=C2C)C)C
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Product OPENEYE NAME: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1,3,5-trimethyl-pyrazole-4-carboxamide
CAS Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1,3,5-trimethyl-4-pyrazolecarboxamide
IUPAC NAME: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1,3,5-trimethyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C17H23N3O2
MOLECULAR WEIGHT: 301.38342
SMILES: CCOC1=CC=C(C=C1)[C@H](C)NC(=O)C2=C(N(N=C2C)C)C
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Product OPENEYE NAME: N-[(4-fluoro-3-methyl-phenyl)methyl]-2,2-dimethyl-propanamide
CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide
IUPAC NAME: N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C13H18FNO
MOLECULAR WEIGHT: 223.286523
SMILES: CC1=C(C=CC(=C1)CNC(=O)C(C)(C)C)F
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Product OPENEYE NAME: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(4-fluoro-3-methyl-phenyl)methyl]acetamide
CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
IUPAC NAME: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SYSTEMATIC NAME: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]ethanamide
MOLECULAR FORMULA: C21H22FN3O
MOLECULAR WEIGHT: 351.417283
SMILES: CC1=C(C=CC(=C1)CNC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C)F
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Product OPENEYE NAME: N-[(4-fluoro-3-methyl-phenyl)methyl]-1,3,5-trimethyl-pyrazole-4-carboxamide
CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-1,3,5-trimethyl-4-pyrazolecarboxamide
IUPAC NAME: N-[(4-fluoro-3-methylphenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-1,3,5-trimethyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C15H18FN3O
MOLECULAR WEIGHT: 275.321323
SMILES: CC1=C(C=CC(=C1)CNC(=O)C2=C(N(N=C2C)C)C)F
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Product OPENEYE NAME: N-[[5-(dimethylsulfamoyl)-2-thienyl]methyl]-6-methyl-pyridine-3-carboxamide
CAS Name: N-[[5-(dimethylsulfamoyl)-2-thiophenyl]methyl]-6-methyl-3-pyridinecarboxamide
IUPAC NAME: N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-6-methylpyridine-3-carboxamide
SYSTEMATIC NAME: N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-6-methyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C14H17N3O3S2
MOLECULAR WEIGHT: 339.43308
SMILES: CC1=NC=C(C=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N(C)C
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Product OPENEYE NAME: (5-chloro-1,3-dimethyl-pyrazol-4-yl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CAS Name: (5-chloro-1,3-dimethyl-4-pyrazolyl)-[4-[2-(2-chlorophenoxy)ethyl]-1-piperazinyl]methanone
IUPAC NAME: (5-chloro-1,3-dimethylpyrazol-4-yl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
SYSTEMATIC NAME: (5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-[4-[2-(2-chloranylphenoxy)ethyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C18H22Cl2N4O2
MOLECULAR WEIGHT: 397.29888
SMILES: CC1=NN(C(=C1C(=O)N2CCN(CC2)CCOC3=CC=CC=C3Cl)Cl)C
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Product OPENEYE NAME: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(4-fluorophenyl)propan-1-one
CAS Name: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(4-fluorophenyl)-1-propanone
IUPAC NAME: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(4-fluorophenyl)propan-1-one
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(4-fluorophenyl)propan-1-one
MOLECULAR FORMULA: C17H17FN2O
MOLECULAR WEIGHT: 284.328083
SMILES: C1CC2=C(C=CC=N2)N(C1)C(=O)CCC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-(3-methoxy-4-methyl-phenyl)ethanone
CAS Name: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
IUPAC NAME: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-(3-methoxy-4-methyl-phenyl)ethanone
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: CC1=C(C=C(C=C1)CC(=O)N2CCCC3=C2C=CC=N3)OC
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Product OPENEYE NAME: 2,2-dimethyl-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]propanamide
CAS Name: 2,2-dimethyl-N-[3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-oxomethyl]phenyl]propanamide
IUPAC NAME: 2,2-dimethyl-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]propanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-[3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]carbonyl]phenyl]propanamide
MOLECULAR FORMULA: C20H24N2O2S
MOLECULAR WEIGHT: 356.48176
SMILES: C[C@H]1C2=C(CCN1C(=O)C3=CC(=CC=C3)NC(=O)C(C)(C)C)SC=C2
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Product OPENEYE NAME: 2,2-dimethyl-N-[3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]propanamide
CAS Name: 2,2-dimethyl-N-[3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-oxomethyl]phenyl]propanamide
IUPAC NAME: 2,2-dimethyl-N-[3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]propanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-[3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]carbonyl]phenyl]propanamide
MOLECULAR FORMULA: C20H24N2O2S
MOLECULAR WEIGHT: 356.48176
SMILES: C[C@@H]1C2=C(CCN1C(=O)C3=CC(=CC=C3)NC(=O)C(C)(C)C)SC=C2
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Product OPENEYE NAME: [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[1-(1-methylpyrrol-3-yl)sulfonyl-4-piperidyl]methanone
CAS Name: [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinyl]methanone
IUPAC NAME: [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-yl]methanone
SYSTEMATIC NAME: [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-yl]methanone
MOLECULAR FORMULA: C19H25N3O3S2
MOLECULAR WEIGHT: 407.5501
SMILES: C[C@H]1C2=C(CCN1C(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C=C4)C)SC=C2
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Product OPENEYE NAME: [(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[1-(1-methylpyrrol-3-yl)sulfonyl-4-piperidyl]methanone
CAS Name: [(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinyl]methanone
IUPAC NAME: [(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-yl]methanone
SYSTEMATIC NAME: [(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-yl]methanone
MOLECULAR FORMULA: C19H25N3O3S2
MOLECULAR WEIGHT: 407.5501
SMILES: C[C@@H]1C2=C(CCN1C(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C=C4)C)SC=C2
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Product OPENEYE NAME: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxamide
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-cyclopentanecarboxamide
IUPAC NAME: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclopentane-1-carboxamide
MOLECULAR FORMULA: C26H33N2O3+
MOLECULAR WEIGHT: 421.55182
SMILES: C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5
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Product OPENEYE NAME: N-(1-benzyl-4-piperidyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxamide
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(phenylmethyl)-4-piperidinyl]-1-cyclopentanecarboxamide
IUPAC NAME: N-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(phenylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide
MOLECULAR FORMULA: C26H32N2O3
MOLECULAR WEIGHT: 420.54388
SMILES: C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5
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Product OPENEYE NAME: N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-chlorophenyl)sulfonyl-cyclopentanecarboxamide
CAS Name: 1-(4-chlorophenyl)sulfonyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-cyclopentanecarboxamide
IUPAC NAME: N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclopentane-1-carboxamide
MOLECULAR FORMULA: C24H30ClN2O3S+
MOLECULAR WEIGHT: 462.0246
SMILES: C1CCC(C1)(C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-(1-benzyl-4-piperidyl)-1-(4-chlorophenyl)sulfonyl-cyclopentanecarboxamide
CAS Name: 1-(4-chlorophenyl)sulfonyl-N-[1-(phenylmethyl)-4-piperidinyl]-1-cyclopentanecarboxamide
IUPAC NAME: N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide
MOLECULAR FORMULA: C24H29ClN2O3S
MOLECULAR WEIGHT: 461.01666
SMILES: C1CCC(C1)(C(=O)NC2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl
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