Friday, May 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2R,3R)-2-(2-methoxyphenyl)-6-oxo-1-(p-tolyl)-N-[2-(2-pyridyl)ethyl]piperidine-3-carboxamide
CAS Name: (2R,3R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide
IUPAC NAME: (2R,3R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SYSTEMATIC NAME: (2R,3R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C27H29N3O3
MOLECULAR WEIGHT: 443.53746
SMILES: CC1=CC=C(C=C1)N2[C@H]([C@@H](CCC2=O)C(=O)NCCC3=CC=CC=N3)C4=CC=CC=C4OC
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Product OPENEYE NAME: N-(3-ethoxypropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CAS Name: N-(3-ethoxypropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
IUPAC NAME: N-(3-ethoxypropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SYSTEMATIC NAME: N-(3-ethoxypropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: CCOCCCNC(=O)C1=C2CCCC2=NC3=CC=CC=C31
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Product OPENEYE NAME: (E)-N-(3-ethoxypropyl)-3-[5-(4-fluorophenyl)-2-thienyl]prop-2-enamide
CAS Name: (E)-N-(3-ethoxypropyl)-3-[5-(4-fluorophenyl)-2-thiophenyl]-2-propenamide
IUPAC NAME: (E)-N-(3-ethoxypropyl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-(3-ethoxypropyl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
MOLECULAR FORMULA: C18H20FNO2S
MOLECULAR WEIGHT: 333.420303
SMILES: CCOCCCNC(=O)/C=C/C1=CC=C(S1)C2=CC=C(C=C2)F
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Product OPENEYE NAME: ethyl 4-[(2,6-difluorobenzoyl)amino]piperidine-1-carboxylate
CAS Name: 4-[[(2,6-difluorophenyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[(2,6-difluorobenzoyl)amino]piperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[[2,6-bis(fluoranyl)phenyl]carbonylamino]piperidine-1-carboxylate
MOLECULAR FORMULA: C15H18F2N2O3
MOLECULAR WEIGHT: 312.311826
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC=C2F)F
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Product OPENEYE NAME: ethyl 4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]piperidine-1-carboxylate
CAS Name: 4-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]piperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]piperidine-1-carboxylate
MOLECULAR FORMULA: C22H23N3O3S
MOLECULAR WEIGHT: 409.50132
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N
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Product OPENEYE NAME: ethyl 4-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]piperidine-1-carboxylate
CAS Name: 4-[[[1-(4-chlorophenyl)sulfonylcyclopentyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]piperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[[1-(4-chlorophenyl)sulfonylcyclopentyl]carbonylamino]piperidine-1-carboxylate
MOLECULAR FORMULA: C20H27ClN2O5S
MOLECULAR WEIGHT: 442.95678
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)C2(CCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: ethyl 4-[[(E)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxylate
CAS Name: 4-[[(E)-1-oxo-3-[4-(trifluoromethylthio)phenyl]prop-2-enyl]amino]-1-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[[(E)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[[(E)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxylate
MOLECULAR FORMULA: C18H21F3N2O3S
MOLECULAR WEIGHT: 402.43115
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)/C=C/C2=CC=C(C=C2)SC(F)(F)F
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Product OPENEYE NAME: ethyl 4-[[(E)-3-[5-(4-fluorophenyl)-2-thienyl]prop-2-enoyl]amino]piperidine-1-carboxylate
CAS Name: 4-[[(E)-3-[5-(4-fluorophenyl)-2-thiophenyl]-1-oxoprop-2-enyl]amino]-1-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]piperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]piperidine-1-carboxylate
MOLECULAR FORMULA: C21H23FN2O3S
MOLECULAR WEIGHT: 402.482323
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)/C=C/C2=CC=C(S2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: N-(3-isopropoxypropyl)-3-(3-methyl-2-oxo-benzimidazol-1-yl)propanamide
CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)-N-(3-propan-2-yloxypropyl)propanamide
IUPAC NAME: 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
SYSTEMATIC NAME: 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
MOLECULAR FORMULA: C17H25N3O3
MOLECULAR WEIGHT: 319.3987
SMILES: CC(C)OCCCNC(=O)CCN1C2=CC=CC=C2N(C1=O)C
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Product OPENEYE NAME: 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-isopropoxypropyl)benzamide
CAS Name: 2-[(2,5-dioxo-1-imidazolidinyl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
IUPAC NAME: 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
SYSTEMATIC NAME: 2-[[2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]-N-(3-propan-2-yloxypropyl)benzamide
MOLECULAR FORMULA: C17H23N3O4
MOLECULAR WEIGHT: 333.38222
SMILES: CC(C)OCCCNC(=O)C1=CC=CC=C1CN2C(=O)CNC2=O
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Product OPENEYE NAME: 6-cyclopropyl-N-(3-isopropoxypropyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: 6-cyclopropyl-1,3-dimethyl-N-(3-propan-2-yloxypropyl)-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: 6-cyclopropyl-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: 6-cyclopropyl-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C18H26N4O2
MOLECULAR WEIGHT: 330.42464
SMILES: CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NCCCOC(C)C)C
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Product OPENEYE NAME: N-butyl-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CAS Name: N-butyl-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC NAME: N-butyl-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SYSTEMATIC NAME: N-butyl-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
MOLECULAR FORMULA: C13H19N5O
MOLECULAR WEIGHT: 261.32286
SMILES: CCCCN(CC)C(=O)C1=NN2C(=CC=NC2=N1)C
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Product OPENEYE NAME: N-butyl-N-ethyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide
CAS Name: N-butyl-N-ethyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
IUPAC NAME: N-butyl-N-ethyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
SYSTEMATIC NAME: N-butyl-N-ethyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
MOLECULAR FORMULA: C18H26N4OS
MOLECULAR WEIGHT: 346.49024
SMILES: CCCCN(CC)C(=O)CCN1C(=NNC1=S)C2=CC(=CC=C2)C
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Product OPENEYE NAME: N'-(2,6-difluorobenzoyl)-3-phenyl-imidazole-4-carbohydrazide
CAS Name: N'-[(2,6-difluorophenyl)-oxomethyl]-3-phenyl-4-imidazolecarbohydrazide
IUPAC NAME: N'-(2,6-difluorobenzoyl)-3-phenylimidazole-4-carbohydrazide
SYSTEMATIC NAME: N'-[2,6-bis(fluoranyl)phenyl]carbonyl-3-phenyl-imidazole-4-carbohydrazide
MOLECULAR FORMULA: C17H12F2N4O2
MOLECULAR WEIGHT: 342.299586
SMILES: C1=CC=C(C=C1)N2C=NC=C2C(=O)NNC(=O)C3=C(C=CC=C3F)F
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Product OPENEYE NAME: N,2,2-trimethyl-N-[2-(methylamino)-2-oxo-ethyl]propanamide
CAS Name: N,2,2-trimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
IUPAC NAME: N,2,2-trimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
SYSTEMATIC NAME: N,2,2-trimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]propanamide
MOLECULAR FORMULA: C9H18N2O2
MOLECULAR WEIGHT: 186.25142
SMILES: CC(C)(C)C(=O)N(C)CC(=O)NC
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Product OPENEYE NAME: methyl 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]-methyl-amino]acetate
CAS Name: 2-[[[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]-methylamino]acetic acid methyl ester
IUPAC NAME: methyl 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]-methylamino]acetate
SYSTEMATIC NAME: methyl 2-[[3-(2,2-dimethylpropanoylamino)phenyl]carbonyl-methyl-amino]ethanoate
MOLECULAR FORMULA: C16H22N2O4
MOLECULAR WEIGHT: 306.35688
SMILES: CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N(C)CC(=O)OC
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Product OPENEYE NAME: (E)-N-[2-(diethylamino)-2-oxo-ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-(1-phenyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-(diethylamino)-2-oxidanylidene-ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C19H24N4O2
MOLECULAR WEIGHT: 340.41946
SMILES: CCN(CC)C(=O)CN(C)C(=O)/C=C/C1=CN(N=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 4-fluoro-N-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide
CAS Name: 4-fluoro-N-[2-[[[(2-hydroxyphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]benzenesulfonamide
IUPAC NAME: 4-fluoro-N-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]benzenesulfonamide
SYSTEMATIC NAME: 4-fluoranyl-N-[2-[[(2-hydroxyphenyl)carbonylamino]carbamoyl]phenyl]benzenesulfonamide
MOLECULAR FORMULA: C20H16FN3O5S
MOLECULAR WEIGHT: 429.421543
SMILES: C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2O)NS(=O)(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-methyl-2-phenyl-propanamide
CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-methyl-2-phenylpropanamide
IUPAC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-methyl-2-phenylpropanamide
SYSTEMATIC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-methyl-2-phenyl-propanamide
MOLECULAR FORMULA: C22H28ClN2O+
MOLECULAR WEIGHT: 371.92352
SMILES: CC(C)(C1=CC=CC=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-2-methyl-2-phenyl-propanamide
CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-2-methyl-2-phenylpropanamide
IUPAC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2-phenylpropanamide
SYSTEMATIC NAME: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2-phenyl-propanamide
MOLECULAR FORMULA: C22H27ClN2O
MOLECULAR WEIGHT: 370.91558
SMILES: CC(C)(C1=CC=CC=C1)C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl
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