Monday, January 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylate
CAS Name: 1-[2-(1H-indol-3-yl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(1H-indol-3-yl)ethanoyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C18H22N2O3
MOLECULAR WEIGHT: 314.37888
SMILES: CCOC(=O)C1CCCN(C1)C(=O)CC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: ethyl 1-[2-(3-methoxyphenyl)acetyl]piperidine-3-carboxylate
CAS Name: 1-[2-(3-methoxyphenyl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(3-methoxyphenyl)acetyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(3-methoxyphenyl)ethanoyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C17H23NO4
MOLECULAR WEIGHT: 305.36882
SMILES: CCOC(=O)C1CCCN(C1)C(=O)CC2=CC(=CC=C2)OC
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Product OPENEYE NAME: ethyl 1-[2-(4-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CAS Name: 1-[2-(4-methoxyphenoxy)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(4-methoxyphenoxy)acetyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(4-methoxyphenoxy)ethanoyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C17H23NO5
MOLECULAR WEIGHT: 321.36822
SMILES: CCOC(=O)C1CCCN(C1)C(=O)COC2=CC=C(C=C2)OC
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Product OPENEYE NAME: 5-oxo-1-(p-tolyl)-N-[2-(2-pyridyl)ethyl]pyrrolidine-3-carboxamide
CAS Name: 1-(4-methylphenyl)-5-oxo-N-[2-(2-pyridinyl)ethyl]-3-pyrrolidinecarboxamide
IUPAC NAME: 1-(4-methylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
SYSTEMATIC NAME: 1-(4-methylphenyl)-5-oxidanylidene-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C19H21N3O2
MOLECULAR WEIGHT: 323.38894
SMILES: CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=CC=CC=N3
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Product OPENEYE NAME: 4-methyl-N-[2-(2-pyridyl)ethyl]pentanamide
CAS Name: 4-methyl-N-[2-(2-pyridinyl)ethyl]pentanamide
IUPAC NAME: 4-methyl-N-(2-pyridin-2-ylethyl)pentanamide
SYSTEMATIC NAME: 4-methyl-N-(2-pyridin-2-ylethyl)pentanamide
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: CC(C)CCC(=O)NCCC1=CC=CC=N1
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Product OPENEYE NAME: 3-methyl-N-[2-(2-pyridyl)ethyl]butanamide
CAS Name: 3-methyl-N-[2-(2-pyridinyl)ethyl]butanamide
IUPAC NAME: 3-methyl-N-(2-pyridin-2-ylethyl)butanamide
SYSTEMATIC NAME: 3-methyl-N-(2-pyridin-2-ylethyl)butanamide
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 206.28412
SMILES: CC(C)CC(=O)NCCC1=CC=CC=N1
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Product OPENEYE NAME: N-[2-methyl-1-[2-(2-pyridyl)ethylcarbamoyl]propyl]furan-2-carboxamide
CAS Name: N-[3-methyl-1-oxo-1-[2-(2-pyridinyl)ethylamino]butan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[3-methyl-1-oxidanylidene-1-(2-pyridin-2-ylethylamino)butan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C17H21N3O3
MOLECULAR WEIGHT: 315.36694
SMILES: CC(C)C(C(=O)NCCC1=CC=CC=N1)NC(=O)C2=CC=CO2
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Product OPENEYE NAME: 6-oxo-1-phenyl-N-[2-(2-pyridyl)ethyl]-4,5-dihydropyridazine-3-carboxamide
CAS Name: 6-oxo-1-phenyl-N-[2-(2-pyridinyl)ethyl]-4,5-dihydropyridazine-3-carboxamide
IUPAC NAME: 6-oxo-1-phenyl-N-(2-pyridin-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide
SYSTEMATIC NAME: 6-oxidanylidene-1-phenyl-N-(2-pyridin-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide
MOLECULAR FORMULA: C18H18N4O2
MOLECULAR WEIGHT: 322.36112
SMILES: C1CC(=O)N(N=C1C(=O)NCCC2=CC=CC=N2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(3,4-dichlorophenyl)-N-[2-(2-pyridyl)ethyl]acetamide
CAS Name: 2-(3,4-dichlorophenyl)-N-[2-(2-pyridinyl)ethyl]acetamide
IUPAC NAME: 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)acetamide
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)ethanamide
MOLECULAR FORMULA: C15H14Cl2N2O
MOLECULAR WEIGHT: 309.19046
SMILES: C1=CC=NC(=C1)CCNC(=O)CC2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: N-[2-(2-pyridyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CAS Name: N-[2-(2-pyridinyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: N-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: N-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C16H15F3N2O
MOLECULAR WEIGHT: 308.29831
SMILES: C1=CC=NC(=C1)CCNC(=O)CC2=CC(=CC=C2)C(F)(F)F
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Product OPENEYE NAME: 3-methyl-N-[2-(2-pyridyl)ethyl]but-2-enamide
CAS Name: 3-methyl-N-[2-(2-pyridinyl)ethyl]-2-butenamide
IUPAC NAME: 3-methyl-N-(2-pyridin-2-ylethyl)but-2-enamide
SYSTEMATIC NAME: 3-methyl-N-(2-pyridin-2-ylethyl)but-2-enamide
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CC(=CC(=O)NCCC1=CC=CC=N1)C
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Product OPENEYE NAME: 4-(2-oxopyrrolidin-1-yl)-N-[2-(2-pyridyl)ethyl]benzamide
CAS Name: 4-(2-oxo-1-pyrrolidinyl)-N-[2-(2-pyridinyl)ethyl]benzamide
IUPAC NAME: 4-(2-oxopyrrolidin-1-yl)-N-(2-pyridin-2-ylethyl)benzamide
SYSTEMATIC NAME: 4-(2-oxidanylidenepyrrolidin-1-yl)-N-(2-pyridin-2-ylethyl)benzamide
MOLECULAR FORMULA: C18H19N3O2
MOLECULAR WEIGHT: 309.36236
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3
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Product OPENEYE NAME: 2-phenyl-N-[2-(2-pyridyl)ethyl]pentanamide
CAS Name: 2-phenyl-N-[2-(2-pyridinyl)ethyl]pentanamide
IUPAC NAME: 2-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
SYSTEMATIC NAME: 2-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
MOLECULAR FORMULA: C18H22N2O
MOLECULAR WEIGHT: 282.38008
SMILES: CCCC(C1=CC=CC=C1)C(=O)NCCC2=CC=CC=N2
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Product OPENEYE NAME: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[2-(2-pyridyl)ethyl]acetamide
CAS Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[2-(2-pyridinyl)ethyl]acetamide
IUPAC NAME: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2-pyridin-2-ylethyl)acetamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-pyridin-2-ylethyl)ethanamide
MOLECULAR FORMULA: C17H19N3O3
MOLECULAR WEIGHT: 313.35106
SMILES: C1C=CCC2C1C(=O)N(C2=O)CC(=O)NCCC3=CC=CC=N3
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Product OPENEYE NAME: (2E,4E)-N-(6-methoxy-3-pyridyl)hexa-2,4-dienamide
CAS Name: (2E,4E)-N-(6-methoxy-3-pyridinyl)hexa-2,4-dienamide
IUPAC NAME: (2E,4E)-N-(6-methoxypyridin-3-yl)hexa-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-(6-methoxypyridin-3-yl)hexa-2,4-dienamide
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: C/C=C/C=C/C(=O)NC1=CN=C(C=C1)OC
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Product OPENEYE NAME: N-(2-furylmethyl)-N-methyl-3-(tetrazol-1-yl)benzamide
CAS Name: N-(2-furanylmethyl)-N-methyl-3-(1-tetrazolyl)benzamide
IUPAC NAME: N-(furan-2-ylmethyl)-N-methyl-3-(tetrazol-1-yl)benzamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-N-methyl-3-(1,2,3,4-tetrazol-1-yl)benzamide
MOLECULAR FORMULA: C14H13N5O2
MOLECULAR WEIGHT: 283.28532
SMILES: CN(CC1=CC=CO1)C(=O)C2=CC(=CC=C2)N3C=NN=N3
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Product OPENEYE NAME: N-(2-furylmethyl)-N-methyl-6-oxo-1-propyl-pyridazine-3-carboxamide
CAS Name: N-(2-furanylmethyl)-N-methyl-6-oxo-1-propyl-3-pyridazinecarboxamide
IUPAC NAME: N-(furan-2-ylmethyl)-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-N-methyl-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide
MOLECULAR FORMULA: C14H17N3O3
MOLECULAR WEIGHT: 275.30308
SMILES: CCCN1C(=O)C=CC(=N1)C(=O)N(C)CC2=CC=CO2
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Product OPENEYE NAME: 2-chloro-N-(2-furylmethyl)-N-methyl-benzamide
CAS Name: 2-chloro-N-(2-furanylmethyl)-N-methylbenzamide
IUPAC NAME: 2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
SYSTEMATIC NAME: 2-chloranyl-N-(furan-2-ylmethyl)-N-methyl-benzamide
MOLECULAR FORMULA: C13H12ClNO2
MOLECULAR WEIGHT: 249.69288
SMILES: CN(CC1=CC=CO1)C(=O)C2=CC=CC=C2Cl
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Product OPENEYE NAME: N-(2-furylmethyl)-N-methyl-furan-2-carboxamide
CAS Name: N-(2-furanylmethyl)-N-methyl-2-furancarboxamide
IUPAC NAME: N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-N-methyl-furan-2-carboxamide
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CN(CC1=CC=CO1)C(=O)C2=CC=CO2
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