Sunday, January 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazin-1-yl]ethanone
CAS Name: 1-[4-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]ethanone
IUPAC NAME: 1-[4-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperazin-1-yl]ethanone
MOLECULAR FORMULA: C19H22FN3O2
MOLECULAR WEIGHT: 343.395283
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)N3CCN(CC3)C(=O)C
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Product OPENEYE NAME: 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CAS Name: 2-(4-fluorophenyl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
IUPAC NAME: 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SYSTEMATIC NAME: 2-(4-fluorophenyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]ethanamide
MOLECULAR FORMULA: C15H19FN2O2
MOLECULAR WEIGHT: 278.321963
SMILES: C1CC(=O)N(C1)CCCNC(=O)CC2=CC=C(C=C2)F
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Product OPENEYE NAME: (E)-N-butyl-3-(4-cyanophenyl)prop-2-enamide
CAS Name: (E)-N-butyl-3-(4-cyanophenyl)-2-propenamide
IUPAC NAME: (E)-N-butyl-3-(4-cyanophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-butyl-3-(4-cyanophenyl)prop-2-enamide
MOLECULAR FORMULA: C14H16N2O
MOLECULAR WEIGHT: 228.28964
SMILES: CCCCNC(=O)/C=C/C1=CC=C(C=C1)C#N
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Product OPENEYE NAME: (3,5-dimethyl-1-piperidyl)-[3-(tetrazol-1-yl)phenyl]methanone
CAS Name: (3,5-dimethyl-1-piperidinyl)-[3-(1-tetrazolyl)phenyl]methanone
IUPAC NAME: (3,5-dimethylpiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SYSTEMATIC NAME: (3,5-dimethylpiperidin-1-yl)-[3-(1,2,3,4-tetrazol-1-yl)phenyl]methanone
MOLECULAR FORMULA: C15H19N5O
MOLECULAR WEIGHT: 285.34426
SMILES: CC1CC(CN(C1)C(=O)C2=CC(=CC=C2)N3C=NN=N3)C
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Product OPENEYE NAME: 4-(2,5-dimethylphenyl)-4-oxo-N-(2-pyridylmethyl)butanamide
CAS Name: 4-(2,5-dimethylphenyl)-4-oxo-N-(2-pyridinylmethyl)butanamide
IUPAC NAME: 4-(2,5-dimethylphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
SYSTEMATIC NAME: 4-(2,5-dimethylphenyl)-4-oxidanylidene-N-(pyridin-2-ylmethyl)butanamide
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCC2=CC=CC=N2
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Product OPENEYE NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-pyridylmethyl)acetamide
CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(3-pyridinylmethyl)acetamide
IUPAC NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
SYSTEMATIC NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamide
MOLECULAR FORMULA: C14H16N4OS
MOLECULAR WEIGHT: 288.36804
SMILES: CC1=CC(=NC(=N1)SCC(=O)NCC2=CN=CC=C2)C
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Product OPENEYE NAME: 2-(2,5-dimethylphenyl)sulfanyl-N-(3-pyridylmethyl)acetamide
CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-(3-pyridinylmethyl)acetamide
IUPAC NAME: 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
SYSTEMATIC NAME: 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamide
MOLECULAR FORMULA: C16H18N2OS
MOLECULAR WEIGHT: 286.39192
SMILES: CC1=CC(=C(C=C1)C)SCC(=O)NCC2=CN=CC=C2
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Product OPENEYE NAME: 5-methyl-N,N-dipropyl-isoxazole-3-carboxamide
CAS Name: 5-methyl-N,N-dipropyl-3-isoxazolecarboxamide
IUPAC NAME: 5-methyl-N,N-dipropyl-1,2-oxazole-3-carboxamide
SYSTEMATIC NAME: 5-methyl-N,N-dipropyl-1,2-oxazole-3-carboxamide
MOLECULAR FORMULA: C11H18N2O2
MOLECULAR WEIGHT: 210.27282
SMILES: CCCN(CCC)C(=O)C1=NOC(=C1)C
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Product OPENEYE NAME: ethyl 4-(dipropylcarbamoyl)piperidine-1-carboxylate
CAS Name: 4-[(dipropylamino)-oxomethyl]-1-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(dipropylcarbamoyl)piperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-(dipropylcarbamoyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C15H28N2O3
MOLECULAR WEIGHT: 284.39442
SMILES: CCCN(CCC)C(=O)C1CCN(CC1)C(=O)OCC
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Product OPENEYE NAME: ethyl 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidine-4-carboxylate
CAS Name: 1-[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H20ClNO3
MOLECULAR WEIGHT: 321.7986
SMILES: CCOC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 2-chloro-5-methylsulfonyl-N-(3-pyridyl)benzamide
CAS Name: 2-chloro-5-methylsulfonyl-N-(3-pyridinyl)benzamide
IUPAC NAME: 2-chloro-5-methylsulfonyl-N-pyridin-3-ylbenzamide
SYSTEMATIC NAME: 2-chloranyl-5-methylsulfonyl-N-pyridin-3-yl-benzamide
MOLECULAR FORMULA: C13H11ClN2O3S
MOLECULAR WEIGHT: 310.75604
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CN=CC=C2
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