Thursday, May 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-methyl-2-(5-methyl-2-furyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiazole-5-carboxamide
CAS Name: 4-methyl-2-(5-methyl-2-furanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-thiazolecarboxamide
IUPAC NAME: 4-methyl-2-(5-methylfuran-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: 4-methyl-2-(5-methylfuran-2-yl)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C17H14N4O3S
MOLECULAR WEIGHT: 354.38306
SMILES: CC1=CC=C(O1)C2=NC(=C(S2)C(=O)NC3=CC4=C(C=C3)NC(=O)N4)C
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Product OPENEYE NAME: [2-(2-bromoanilino)-2-oxo-ethyl]-[2-(4-hydroxyanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-[2-(4-hydroxyanilino)-2-oxoethyl]-methylammonium
IUPAC NAME: [2-(2-bromoanilino)-2-oxoethyl]-[2-(4-hydroxyanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-[2-[(4-hydroxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C17H19BrN3O3+
MOLECULAR WEIGHT: 393.25506
SMILES: C[NH+](CC(=O)NC1=CC=C(C=C1)O)CC(=O)NC2=CC=CC=C2Br
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Product OPENEYE NAME: 2-[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]-N-(4-hydroxyphenyl)acetamide
CAS Name: 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-hydroxyphenyl)acetamide
IUPAC NAME: 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-hydroxyphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-hydroxyphenyl)ethanamide
MOLECULAR FORMULA: C17H18BrN3O3
MOLECULAR WEIGHT: 392.24712
SMILES: CN(CC(=O)NC1=CC=C(C=C1)O)CC(=O)NC2=CC=CC=C2Br
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Product OPENEYE NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(3,3-diphenylpropyl)acetamide
CAS Name: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(3,3-diphenylpropyl)acetamide
IUPAC NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(3,3-diphenylpropyl)acetamide
SYSTEMATIC NAME: 2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-(3,3-diphenylpropyl)ethanamide
MOLECULAR FORMULA: C23H25N3O2
MOLECULAR WEIGHT: 375.4635
SMILES: CC1=C(C(=O)N=C(N1)C)CC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C22H26N2O4S
MOLECULAR WEIGHT: 414.51784
SMILES: CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC
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Product OPENEYE NAME: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide
CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
IUPAC NAME: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SYSTEMATIC NAME: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide
MOLECULAR FORMULA: C19H23N3O5S
MOLECULAR WEIGHT: 405.46802
SMILES: CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC
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Product OPENEYE NAME: 4,6,7-trimethoxy-N-thiazol-2-yl-1H-indole-2-carboxamide
CAS Name: 4,6,7-trimethoxy-N-(2-thiazolyl)-1H-indole-2-carboxamide
IUPAC NAME: 4,6,7-trimethoxy-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
SYSTEMATIC NAME: 4,6,7-trimethoxy-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
MOLECULAR FORMULA: C15H15N3O4S
MOLECULAR WEIGHT: 333.3623
SMILES: COC1=CC(=C(C2=C1C=C(N2)C(=O)NC3=NC=CS3)OC)OC
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Product OPENEYE NAME: 4-methyl-2-(5-methyl-2-furyl)-N-thiazol-2-yl-thiazole-5-carboxamide
CAS Name: 4-methyl-2-(5-methyl-2-furanyl)-N-(2-thiazolyl)-5-thiazolecarboxamide
IUPAC NAME: 4-methyl-2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: 4-methyl-2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C13H11N3O2S2
MOLECULAR WEIGHT: 305.37534
SMILES: CC1=CC=C(O1)C2=NC(=C(S2)C(=O)NC3=NC=CS3)C
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Product OPENEYE NAME: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methoxy-benzenesulfonamide
CAS Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-4-methoxybenzenesulfonamide
IUPAC NAME: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methoxybenzenesulfonamide
SYSTEMATIC NAME: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-4-methoxy-benzenesulfonamide
MOLECULAR FORMULA: C19H22N2O6S
MOLECULAR WEIGHT: 406.45278
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC
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Product OPENEYE NAME: 2-(5-methyl-2-furyl)-N-thiazol-2-yl-thiazole-4-carboxamide
CAS Name: 2-(5-methyl-2-furanyl)-N-(2-thiazolyl)-4-thiazolecarboxamide
IUPAC NAME: 2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: 2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C12H9N3O2S2
MOLECULAR WEIGHT: 291.34876
SMILES: CC1=CC=C(O1)C2=NC(=CS2)C(=O)NC3=NC=CS3
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Product OPENEYE NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-thiazol-2-yl-acetamide
CAS Name: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-thiazolyl)acetamide
IUPAC NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C11H12N4O2S
MOLECULAR WEIGHT: 264.30358
SMILES: CC1=C(C(=O)N=C(N1)C)CC(=O)NC2=NC=CS2
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Product OPENEYE NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-thiazol-2-yl-butanamide
CAS Name: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-thiazolyl)butanamide
IUPAC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide
MOLECULAR FORMULA: C13H18N4O2S
MOLECULAR WEIGHT: 294.37262
SMILES: CC(C)(C)C1=NOC(=N1)CCCC(=O)NC2=NC=CS2
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Product OPENEYE NAME: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-ethoxyphenyl)sulfonyl-4-piperidyl]methanone
CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]methanone
IUPAC NAME: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
SYSTEMATIC NAME: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
MOLECULAR FORMULA: C25H32N2O6S
MOLECULAR WEIGHT: 488.59638
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC
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Product OPENEYE NAME: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)-2-furyl]methanone
CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)-2-furanyl]methanone
IUPAC NAME: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone
SYSTEMATIC NAME: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(phenoxymethyl)furan-2-yl]methanone
MOLECULAR FORMULA: C23H23NO5
MOLECULAR WEIGHT: 393.43242
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(O3)COC4=CC=CC=C4)OC
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Product OPENEYE NAME: 4-(difluoromethoxy)-N,N-diethyl-1H-indole-2-carboxamide
CAS Name: 4-(difluoromethoxy)-N,N-diethyl-1H-indole-2-carboxamide
IUPAC NAME: 4-(difluoromethoxy)-N,N-diethyl-1H-indole-2-carboxamide
SYSTEMATIC NAME: 4-[bis(fluoranyl)methoxy]-N,N-diethyl-1H-indole-2-carboxamide
MOLECULAR FORMULA: C14H16F2N2O2
MOLECULAR WEIGHT: 282.285846
SMILES: CCN(CC)C(=O)C1=CC2=C(N1)C=CC=C2OC(F)F
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Product OPENEYE NAME: 2-(2-bromo-4-cyano-6-ethoxy-phenoxy)-N,N-diethyl-acetamide
CAS Name: 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N,N-diethylacetamide
IUPAC NAME: 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N,N-diethylacetamide
SYSTEMATIC NAME: 2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)-N,N-diethyl-ethanamide
MOLECULAR FORMULA: C15H19BrN2O3
MOLECULAR WEIGHT: 355.22696
SMILES: CCN(CC)C(=O)COC1=C(C=C(C=C1Br)C#N)OCC
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Product OPENEYE NAME: N,N-diethyl-5,6,7-trimethoxy-1H-indole-2-carboxamide
CAS Name: N,N-diethyl-5,6,7-trimethoxy-1H-indole-2-carboxamide
IUPAC NAME: N,N-diethyl-5,6,7-trimethoxy-1H-indole-2-carboxamide
SYSTEMATIC NAME: N,N-diethyl-5,6,7-trimethoxy-1H-indole-2-carboxamide
MOLECULAR FORMULA: C16H22N2O4
MOLECULAR WEIGHT: 306.35688
SMILES: CCN(CC)C(=O)C1=CC2=CC(=C(C(=C2N1)OC)OC)OC
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Product OPENEYE NAME: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-4-fluoro-benzenesulfonamide
CAS Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-N,N-diethyl-4-fluorobenzenesulfonamide
IUPAC NAME: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide
SYSTEMATIC NAME: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-N,N-diethyl-4-fluoranyl-benzenesulfonamide
MOLECULAR FORMULA: C22H27FN2O5S
MOLECULAR WEIGHT: 450.523583
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC
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Product OPENEYE NAME: 1-[4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone
CAS Name: 1-[4-[[1-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone
IUPAC NAME: 1-[4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[1-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone
MOLECULAR FORMULA: C16H17N5O4
MOLECULAR WEIGHT: 343.33728
SMILES: CC(=O)N1CCN(CC1)C(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-1-yl]propan-1-one
CAS Name: 3-(1H-indol-3-yl)-1-[4-[2-[(2R)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-4-iumyl]-1-propanone
IUPAC NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-yl]propan-1-one
SYSTEMATIC NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]propan-1-one
MOLECULAR FORMULA: C23H33N4O2+
MOLECULAR WEIGHT: 397.53372
SMILES: C[C@@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43
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Product OPENEYE NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-1-yl]propan-1-one
CAS Name: 3-(1H-indol-3-yl)-1-[4-[2-[(2R)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazinyl]-1-propanone
IUPAC NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propan-1-one
SYSTEMATIC NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C23H32N4O2
MOLECULAR WEIGHT: 396.52578
SMILES: C[C@@H]1CCCCN1C(=O)CN2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43
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Product OPENEYE NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-1-yl]propan-1-one
CAS Name: 3-(1H-indol-3-yl)-1-[4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-4-iumyl]-1-propanone
IUPAC NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-yl]propan-1-one
SYSTEMATIC NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]propan-1-one
MOLECULAR FORMULA: C23H33N4O2+
MOLECULAR WEIGHT: 397.53372
SMILES: C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43
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Product OPENEYE NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-1-yl]propan-1-one
CAS Name: 3-(1H-indol-3-yl)-1-[4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazinyl]-1-propanone
IUPAC NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propan-1-one
SYSTEMATIC NAME: 3-(1H-indol-3-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C23H32N4O2
MOLECULAR WEIGHT: 396.52578
SMILES: C[C@H]1CCCCN1C(=O)CN2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43
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