Sunday, May 5, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-1-isopropyl-pyrazolo[3,4-b]pyridine-5-carboxamide
CAS Name: N-[2-[(cyclopropylamino)-oxomethyl]phenyl]-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SYSTEMATIC NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C20H21N5O2
MOLECULAR WEIGHT: 363.41304
SMILES: CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=CC=CC=C3C(=O)NC4CC4
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Product OPENEYE NAME: (2S)-2-(2,5-difluorophenyl)sulfanyl-N-(5-quinolyl)propanamide
CAS Name: (2S)-2-[(2,5-difluorophenyl)thio]-N-(5-quinolinyl)propanamide
IUPAC NAME: (2S)-2-(2,5-difluorophenyl)sulfanyl-N-quinolin-5-ylpropanamide
SYSTEMATIC NAME: (2S)-2-[2,5-bis(fluoranyl)phenyl]sulfanyl-N-quinolin-5-yl-propanamide
MOLECULAR FORMULA: C18H14F2N2OS
MOLECULAR WEIGHT: 344.378366
SMILES: C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=C(C=CC(=C3)F)F
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-2-nitro-benzamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-2-nitrobenzamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-2-nitrobenzamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloranyl-2-nitro-benzamide
MOLECULAR FORMULA: C20H12ClN3O3S
MOLECULAR WEIGHT: 409.84558
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: N-cyclopropyl-2-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)prop-2-enoyl]amino]benzamide
CAS Name: N-cyclopropyl-2-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)-1-oxoprop-2-enyl]amino]benzamide
IUPAC NAME: N-cyclopropyl-2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]benzamide
SYSTEMATIC NAME: N-cyclopropyl-2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]benzamide
MOLECULAR FORMULA: C21H20N2O3
MOLECULAR WEIGHT: 348.3951
SMILES: C1CC1NC(=O)C2=CC=CC=C2NC(=O)/C=C/C3=CC4=C(C=C3)OCC4
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Product OPENEYE NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
CAS Name: N-[2-[(cyclopropylamino)-oxomethyl]phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
IUPAC NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
SYSTEMATIC NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
MOLECULAR FORMULA: C23H22N4O2
MOLECULAR WEIGHT: 386.44638
SMILES: C1CC2=C(C1)N(N=C2C(=O)NC3=CC=CC=C3C(=O)NC4CC4)C5=CC=CC=C5
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Product OPENEYE NAME: [4-(methylcarbamoyl)phenyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate
CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [4-(methylcarbamoyl)phenyl] ester
IUPAC NAME: [4-(methylcarbamoyl)phenyl] 5-methyl-1-phenylpyrazole-4-carboxylate
SYSTEMATIC NAME: [4-(methylcarbamoyl)phenyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C19H17N3O3
MOLECULAR WEIGHT: 335.35658
SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(=O)NC
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Product OPENEYE NAME: [4-(methylcarbamoyl)phenyl] 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxylate
CAS Name: 2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolecarboxylic acid [4-(methylcarbamoyl)phenyl] ester
IUPAC NAME: [4-(methylcarbamoyl)phenyl] 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxylate
SYSTEMATIC NAME: [4-(methylcarbamoyl)phenyl] 2,5-dimethyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrrole-3-carboxylate
MOLECULAR FORMULA: C17H17F3N2O3
MOLECULAR WEIGHT: 354.32369
SMILES: CC1=CC(=C(N1CC(F)(F)F)C)C(=O)OC2=CC=C(C=C2)C(=O)NC
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Product OPENEYE NAME: [4-(methylcarbamoyl)phenyl] 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanoate
CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanoic acid [4-(methylcarbamoyl)phenyl] ester
IUPAC NAME: [4-(methylcarbamoyl)phenyl] 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoate
SYSTEMATIC NAME: [4-(methylcarbamoyl)phenyl] 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoate
MOLECULAR FORMULA: C24H31N5O5
MOLECULAR WEIGHT: 469.53344
SMILES: CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)OC3=CC=C(C=C3)C(=O)NC)CC(C)C
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Product OPENEYE NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide
CAS Name: N-[2-[(cyclopropylamino)-oxomethyl]phenyl]-1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxamide
IUPAC NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dimethylthieno[2,3-c]pyrazole-5-carboxamide
SYSTEMATIC NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide
MOLECULAR FORMULA: C18H18N4O2S
MOLECULAR WEIGHT: 354.42612
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC=CC=C3C(=O)NC4CC4)C
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Product OPENEYE NAME: [4-(methylcarbamoyl)phenyl] 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate
CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxylic acid [4-(methylcarbamoyl)phenyl] ester
IUPAC NAME: [4-(methylcarbamoyl)phenyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
SYSTEMATIC NAME: [4-(methylcarbamoyl)phenyl] 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate
MOLECULAR FORMULA: C19H22N2O4S
MOLECULAR WEIGHT: 374.45398
SMILES: CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OC2=CC=C(C=C2)C(=O)NC
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Product OPENEYE NAME: [(2R)-2-ethyl-1-piperidyl]-[3-(1-piperidylsulfonyl)phenyl]methanone
CAS Name: [(2R)-2-ethyl-1-piperidinyl]-[3-(1-piperidinylsulfonyl)phenyl]methanone
IUPAC NAME: [(2R)-2-ethylpiperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
SYSTEMATIC NAME: [(2R)-2-ethylpiperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
MOLECULAR FORMULA: C19H28N2O3S
MOLECULAR WEIGHT: 364.50222
SMILES: CC[C@@H]1CCCCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3
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Product OPENEYE NAME: [(2S)-2-ethyl-1-piperidyl]-[3-(1-piperidylsulfonyl)phenyl]methanone
CAS Name: [(2S)-2-ethyl-1-piperidinyl]-[3-(1-piperidinylsulfonyl)phenyl]methanone
IUPAC NAME: [(2S)-2-ethylpiperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
SYSTEMATIC NAME: [(2S)-2-ethylpiperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
MOLECULAR FORMULA: C19H28N2O3S
MOLECULAR WEIGHT: 364.50222
SMILES: CC[C@H]1CCCCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3
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Product OPENEYE NAME: (4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-[(2R)-2-ethyl-1-piperidyl]methanone
CAS Name: [4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-[(2R)-2-ethyl-1-piperidinyl]methanone
IUPAC NAME: (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
SYSTEMATIC NAME: (4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
MOLECULAR FORMULA: C18H25ClN2O3S
MOLECULAR WEIGHT: 384.9207
SMILES: CC[C@@H]1CCCCN1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3
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Product OPENEYE NAME: (4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-[(2S)-2-ethyl-1-piperidyl]methanone
CAS Name: [4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-[(2S)-2-ethyl-1-piperidinyl]methanone
IUPAC NAME: (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
SYSTEMATIC NAME: (4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
MOLECULAR FORMULA: C18H25ClN2O3S
MOLECULAR WEIGHT: 384.9207
SMILES: CC[C@H]1CCCCN1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3
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Product OPENEYE NAME: [4-chloro-3-(1-piperidylsulfonyl)phenyl]-[(2R)-2-ethyl-1-piperidyl]methanone
CAS Name: [4-chloro-3-(1-piperidinylsulfonyl)phenyl]-[(2R)-2-ethyl-1-piperidinyl]methanone
IUPAC NAME: (4-chloro-3-piperidin-1-ylsulfonylphenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
SYSTEMATIC NAME: (4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
MOLECULAR FORMULA: C19H27ClN2O3S
MOLECULAR WEIGHT: 398.94728
SMILES: CC[C@@H]1CCCCN1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3
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Product OPENEYE NAME: [4-chloro-3-(1-piperidylsulfonyl)phenyl]-[(2S)-2-ethyl-1-piperidyl]methanone
CAS Name: [4-chloro-3-(1-piperidinylsulfonyl)phenyl]-[(2S)-2-ethyl-1-piperidinyl]methanone
IUPAC NAME: (4-chloro-3-piperidin-1-ylsulfonylphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
SYSTEMATIC NAME: (4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
MOLECULAR FORMULA: C19H27ClN2O3S
MOLECULAR WEIGHT: 398.94728
SMILES: CC[C@H]1CCCCN1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3
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Product OPENEYE NAME: 3-(4-chlorophenyl)-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
CAS Name: 3-(4-chlorophenyl)-N-[2-[(cyclopropylamino)-oxomethyl]phenyl]-1H-pyrazole-5-carboxamide
IUPAC NAME: 3-(4-chlorophenyl)-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
SYSTEMATIC NAME: 3-(4-chlorophenyl)-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
MOLECULAR FORMULA: C20H17ClN4O2
MOLECULAR WEIGHT: 380.82758
SMILES: C1CC1NC(=O)C2=CC=CC=C2NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazinecarboxamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
MOLECULAR FORMULA: C18H12N4OS
MOLECULAR WEIGHT: 332.37908
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)C4=NC=CN=C4
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Product OPENEYE NAME: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluoro-3-methyl-phenyl)methyl]acetamide
CAS Name: 2-[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
IUPAC NAME: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SYSTEMATIC NAME: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]ethanamide
MOLECULAR FORMULA: C22H23ClFN5OS
MOLECULAR WEIGHT: 459.967323
SMILES: CC1=C(C=CC(=C1)CNC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)N4CCCC4)F
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Product OPENEYE NAME: 1-[(2R)-2-ethyl-1-piperidyl]-2-(4-methoxy-3-morpholinosulfonyl-phenyl)ethanone
CAS Name: 1-[(2R)-2-ethyl-1-piperidinyl]-2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]ethanone
IUPAC NAME: 1-[(2R)-2-ethylpiperidin-1-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
SYSTEMATIC NAME: 1-[(2R)-2-ethylpiperidin-1-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanone
MOLECULAR FORMULA: C20H30N2O5S
MOLECULAR WEIGHT: 410.5276
SMILES: CC[C@@H]1CCCCN1C(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3
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