Thursday, May 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-pyrrol-1-yl-thiophene-2-carboxamide
CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-(1-pyrrolyl)-2-thiophenecarboxamide
IUPAC NAME: N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
SYSTEMATIC NAME: N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-pyrrol-1-yl-thiophene-2-carboxamide
MOLECULAR FORMULA: C19H20N2O3S
MOLECULAR WEIGHT: 356.4387
SMILES: CN(CC1=C(C=C(C=C1)OC)OC)C(=O)C2=C(C=CS2)N3C=CC=C3
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate
CAS Name: (2R)-2-(4-fluorophenoxy)propanoic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (2R)-2-(4-fluoranylphenoxy)propanoate
MOLECULAR FORMULA: C20H18FN3O4S
MOLECULAR WEIGHT: 415.438023
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)[C@@H](C)OC3=CC=C(C=C3)F
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl (2S)-2-(4-fluorophenoxy)propanoate
CAS Name: (2S)-2-(4-fluorophenoxy)propanoic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (2S)-2-(4-fluorophenoxy)propanoate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (2S)-2-(4-fluoranylphenoxy)propanoate
MOLECULAR FORMULA: C20H18FN3O4S
MOLECULAR WEIGHT: 415.438023
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)[C@H](C)OC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-N-methyl-cyclopropanecarboxamide
CAS Name: 1-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1-cyclopropanecarboxamide
IUPAC NAME: 1-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylcyclopropane-1-carboxamide
SYSTEMATIC NAME: N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-1-(4-bromophenyl)-N-methyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C20H20BrF2NO3
MOLECULAR WEIGHT: 440.278506
SMILES: CN(CC1=CC(=C(C=C1)OC(F)F)OC)C(=O)C2(CC2)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-N,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-N,4,5-trimethyl-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-N,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C21H23N3O3S
MOLECULAR WEIGHT: 397.49062
SMILES: CCC1=NC(=C2C(=C(SC2=N1)C(=O)N(C)C[C@@H]3COC4=CC=CC=C4O3)C)C
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Product OPENEYE NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-N,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-N,4,5-trimethyl-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-N,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C21H23N3O3S
MOLECULAR WEIGHT: 397.49062
SMILES: CCC1=NC(=C2C(=C(SC2=N1)C(=O)N(C)C[C@H]3COC4=CC=CC=C4O3)C)C
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Product OPENEYE NAME: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide
CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide
IUPAC NAME: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide
MOLECULAR FORMULA: C22H25N3O3S
MOLECULAR WEIGHT: 411.5172
SMILES: COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=C(C=CS2)N3C=CC=C3)N4CCOCC4
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Product OPENEYE NAME: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide
CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide
IUPAC NAME: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SYSTEMATIC NAME: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide
MOLECULAR FORMULA: C22H25N3O3S
MOLECULAR WEIGHT: 411.5172
SMILES: COC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(C=CS2)N3C=CC=C3)N4CCOCC4
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Product OPENEYE NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-methyl-5-nitro-pyridine-3-carboxamide
CAS Name: 2-methyl-5-nitro-N-[[(2R)-4-(phenylmethyl)-2-morpholinyl]methyl]-3-pyridinecarboxamide
IUPAC NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-methyl-5-nitropyridine-3-carboxamide
SYSTEMATIC NAME: 2-methyl-5-nitro-N-[[(2R)-4-(phenylmethyl)morpholin-2-yl]methyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C19H22N4O4
MOLECULAR WEIGHT: 370.40238
SMILES: CC1=NC=C(C=C1C(=O)NC[C@@H]2CN(CCO2)CC3=CC=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-methyl-5-nitro-pyridine-3-carboxamide
CAS Name: 2-methyl-5-nitro-N-[[(2S)-4-(phenylmethyl)-2-morpholinyl]methyl]-3-pyridinecarboxamide
IUPAC NAME: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-methyl-5-nitropyridine-3-carboxamide
SYSTEMATIC NAME: 2-methyl-5-nitro-N-[[(2S)-4-(phenylmethyl)morpholin-2-yl]methyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C19H22N4O4
MOLECULAR WEIGHT: 370.40238
SMILES: CC1=NC=C(C=C1C(=O)NC[C@H]2CN(CCO2)CC3=CC=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: butyl 1-(3,4-difluorophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate
CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid butyl ester
IUPAC NAME: butyl 1-(3,4-difluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylate
SYSTEMATIC NAME: butyl 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-phenyl-piperidine-4-carboxylate
MOLECULAR FORMULA: C22H25F2NO4S
MOLECULAR WEIGHT: 437.500006
SMILES: CCCCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)F)C3=CC=CC=C3
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Product OPENEYE NAME: (E)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]-3-(o-tolyl)prop-2-enamide
CAS Name: (E)-N-[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]-3-(2-methylphenyl)-2-propenamide
IUPAC NAME: (E)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-methylphenyl)prop-2-enamide
MOLECULAR FORMULA: C15H19NO3S
MOLECULAR WEIGHT: 293.38126
SMILES: CC1=CC=CC=C1/C=C/C(=O)N[C@]2(CCS(=O)(=O)C2)C
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Product OPENEYE NAME: (E)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-3-(o-tolyl)prop-2-enamide
CAS Name: (E)-N-[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]-3-(2-methylphenyl)-2-propenamide
IUPAC NAME: (E)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-methylphenyl)prop-2-enamide
MOLECULAR FORMULA: C15H19NO3S
MOLECULAR WEIGHT: 293.38126
SMILES: CC1=CC=CC=C1/C=C/C(=O)N[C@@]2(CCS(=O)(=O)C2)C
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Product OPENEYE NAME: 1-[(2-chlorophenyl)methyl]-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-6-oxo-pyridine-3-carboxamide
CAS Name: 1-[(2-chlorophenyl)methyl]-N-[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]-6-oxo-3-pyridinecarboxamide
IUPAC NAME: 1-[(2-chlorophenyl)methyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-6-oxopyridine-3-carboxamide
SYSTEMATIC NAME: 1-[(2-chlorophenyl)methyl]-N-[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-pyridine-3-carboxamide
MOLECULAR FORMULA: C18H19ClN2O4S
MOLECULAR WEIGHT: 394.87246
SMILES: C[C@]1(CCS(=O)(=O)C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC=CC=C3Cl
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Product OPENEYE NAME: 1-[(2-chlorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]-6-oxo-pyridine-3-carboxamide
CAS Name: 1-[(2-chlorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]-6-oxo-3-pyridinecarboxamide
IUPAC NAME: 1-[(2-chlorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-6-oxopyridine-3-carboxamide
SYSTEMATIC NAME: 1-[(2-chlorophenyl)methyl]-N-[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-pyridine-3-carboxamide
MOLECULAR FORMULA: C18H19ClN2O4S
MOLECULAR WEIGHT: 394.87246
SMILES: C[C@@]1(CCS(=O)(=O)C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC=CC=C3Cl
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