Friday, May 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: ethyl (3R)-1-[(3R)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
CAS Name: (3R)-1-[[(3R)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3R)-1-[(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3R)-1-[(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C19H28N2O5S2
MOLECULAR WEIGHT: 428.56602
SMILES: CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C
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Product OPENEYE NAME: ethyl (3S)-1-[(3R)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
CAS Name: (3S)-1-[[(3R)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3S)-1-[(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3S)-1-[(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C19H28N2O5S2
MOLECULAR WEIGHT: 428.56602
SMILES: CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C
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Product OPENEYE NAME: ethyl (3R)-1-[(3S)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
CAS Name: (3R)-1-[[(3S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3R)-1-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3R)-1-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C19H28N2O5S2
MOLECULAR WEIGHT: 428.56602
SMILES: CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C
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Product OPENEYE NAME: ethyl (3S)-1-[(3S)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
CAS Name: (3S)-1-[[(3S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl (3S)-1-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3S)-1-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C19H28N2O5S2
MOLECULAR WEIGHT: 428.56602
SMILES: CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C
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Product OPENEYE NAME: (4-methyl-1-piperidyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CAS Name: (4-methyl-1-piperidinyl)-(1,3,5-trimethyl-4-pyrazolyl)methanone
IUPAC NAME: (4-methylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SYSTEMATIC NAME: (4-methylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
MOLECULAR FORMULA: C13H21N3O
MOLECULAR WEIGHT: 235.32534
SMILES: CC1CCN(CC1)C(=O)C2=C(N(N=C2C)C)C
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Product OPENEYE NAME: (2R,3R)-N-(1,1-dimethylpropyl)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: (2R,3R)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: (2R,3R)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: (2R,3R)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CCC(C)(C)NC(=O)C1=C2C(=CC=C1)[C@H]([C@H](O2)C)C
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Product OPENEYE NAME: (2R,3S)-N-(1,1-dimethylpropyl)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: (2R,3S)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: (2R,3S)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: (2R,3S)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CCC(C)(C)NC(=O)C1=C2C(=CC=C1)[C@@H]([C@H](O2)C)C
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Product OPENEYE NAME: (2S,3R)-N-(1,1-dimethylpropyl)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: (2S,3R)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: (2S,3R)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: (2S,3R)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CCC(C)(C)NC(=O)C1=C2C(=CC=C1)[C@H]([C@@H](O2)C)C
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Product OPENEYE NAME: (2S,3S)-N-(1,1-dimethylpropyl)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: (2S,3S)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: (2S,3S)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: (2S,3S)-2,3-dimethyl-N-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CCC(C)(C)NC(=O)C1=C2C(=CC=C1)[C@@H]([C@@H](O2)C)C
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Product OPENEYE NAME: (2R)-N-(1,1-dimethylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CAS Name: (2R)-N-(2-methylbutan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
IUPAC NAME: (2R)-N-(2-methylbutan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SYSTEMATIC NAME: (2R)-N-(2-methylbutan-2-yl)-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: CCC(C)(C)NC(=O)[C@@H](C)N1C2=CC=CC=C2OC1=O
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Product OPENEYE NAME: (2S)-N-(1,1-dimethylpropyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CAS Name: (2S)-N-(2-methylbutan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
IUPAC NAME: (2S)-N-(2-methylbutan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SYSTEMATIC NAME: (2S)-N-(2-methylbutan-2-yl)-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: CCC(C)(C)NC(=O)[C@H](C)N1C2=CC=CC=C2OC1=O
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Product OPENEYE NAME: 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)acetamide
CAS Name: 2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)acetamide
IUPAC NAME: 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SYSTEMATIC NAME: 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanamide
MOLECULAR FORMULA: C19H21N5O2S2
MOLECULAR WEIGHT: 415.53234
SMILES: CN1CCC2=C(C1)SC(=N2)NC(=O)CSC3=NC=CN3C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 4-oxo-4-tetralin-6-yl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CAS Name: 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1,3,5-trimethyl-4-pyrazolyl)butanamide
IUPAC NAME: 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
SYSTEMATIC NAME: 4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
MOLECULAR FORMULA: C20H25N3O2
MOLECULAR WEIGHT: 339.4314
SMILES: CC1=C(C(=NN1C)C)NC(=O)CCC(=O)C2=CC3=C(CCCC3)C=C2
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Product OPENEYE NAME: 3-(benzylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CAS Name: 3-[(phenylmethyl)sulfamoyl]-N-(1,3,5-trimethyl-4-pyrazolyl)benzamide
IUPAC NAME: 3-(benzylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SYSTEMATIC NAME: 3-[(phenylmethyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
MOLECULAR FORMULA: C20H22N4O3S
MOLECULAR WEIGHT: 398.47868
SMILES: CC1=C(C(=NN1C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(p-tolyl)-2-thioxo-thiazol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CAS Name: 2-[4-(4-methylphenyl)-2-sulfanylidene-3-thiazolyl]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide
MOLECULAR FORMULA: C18H20N4OS2
MOLECULAR WEIGHT: 372.5076
SMILES: CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)NC3=C(N(N=C3C)C)C
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Product OPENEYE NAME: 4-chloro-3-(cyclopropylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CAS Name: 4-chloro-3-(cyclopropylsulfamoyl)-N-(1,3,5-trimethyl-4-pyrazolyl)benzamide
IUPAC NAME: 4-chloro-3-(cyclopropylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SYSTEMATIC NAME: 4-chloranyl-3-(cyclopropylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
MOLECULAR FORMULA: C16H19ClN4O3S
MOLECULAR WEIGHT: 382.86506
SMILES: CC1=C(C(=NN1C)C)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3CC3
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Product OPENEYE NAME: 3-indol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CAS Name: 3-(1-indolyl)-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide
IUPAC NAME: 3-indol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SYSTEMATIC NAME: 3-indol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
MOLECULAR FORMULA: C17H20N4O
MOLECULAR WEIGHT: 296.3669
SMILES: CC1=C(C(=NN1C)C)NC(=O)CCN2C=CC3=CC=CC=C32
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Product OPENEYE NAME: 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CAS Name: 2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide
IUPAC NAME: 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide
MOLECULAR FORMULA: C16H20FN5O2
MOLECULAR WEIGHT: 333.360703
SMILES: CC1=C(C(=NN1C)C)NC(=O)CNC(=O)NCC2=CC=C(C=C2)F
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Product OPENEYE NAME: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-2-phenyl-propanamide
CAS Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-2-phenylpropanamide
IUPAC NAME: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-2-phenylpropanamide
SYSTEMATIC NAME: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-2-phenyl-propanamide
MOLECULAR FORMULA: C20H23NO3
MOLECULAR WEIGHT: 325.40152
SMILES: C[C@H](C1=CC2=C(C=C1)OCCO2)NC(=O)C(C)(C)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-2-phenyl-propanamide
CAS Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-2-phenylpropanamide
IUPAC NAME: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-2-phenylpropanamide
SYSTEMATIC NAME: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-2-phenyl-propanamide
MOLECULAR FORMULA: C20H23NO3
MOLECULAR WEIGHT: 325.40152
SMILES: C[C@@H](C1=CC2=C(C=C1)OCCO2)NC(=O)C(C)(C)C3=CC=CC=C3
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Product OPENEYE NAME: 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1R,2S,4R)-1,7,7-trimethylnorbornan-2-yl]propanamide
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)-N-[(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]propanamide
IUPAC NAME: 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]propanamide
SYSTEMATIC NAME: 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-[(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]propanamide
MOLECULAR FORMULA: C17H26N2O3
MOLECULAR WEIGHT: 306.39994
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)CCN3C(=O)CCC3=O
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Product OPENEYE NAME: 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl]propanamide
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)-N-[(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]propanamide
IUPAC NAME: 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]propanamide
SYSTEMATIC NAME: 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-[(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]propanamide
MOLECULAR FORMULA: C17H26N2O3
MOLECULAR WEIGHT: 306.39994
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@@H]2NC(=O)CCN3C(=O)CCC3=O
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Product OPENEYE NAME: 5-cyclopropyl-N-(2,2,2-trifluoroethyl)isoxazole-3-carboxamide
CAS Name: 5-cyclopropyl-N-(2,2,2-trifluoroethyl)-3-isoxazolecarboxamide
IUPAC NAME: 5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
SYSTEMATIC NAME: 5-cyclopropyl-N-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide
MOLECULAR FORMULA: C9H9F3N2O2
MOLECULAR WEIGHT: 234.17517
SMILES: C1CC1C2=CC(=NO2)C(=O)NCC(F)(F)F
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