Wednesday, January 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (Z)-2-cyano-3-[4-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CAS Name: (Z)-2-cyano-3-[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl]-2-propenoic acid
IUPAC NAME: (Z)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (Z)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C16H14N2O4
MOLECULAR WEIGHT: 298.29336
SMILES: CC1=C(C(=NO1)C)COC2=CC=C(C=C2)/C=C(/C#N)\C(=O)O
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Product OPENEYE NAME: 2-[2-[(Z)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]phenoxy]acetic acid
CAS Name: 2-[2-[(Z)-2-cyano-2-(4-methyl-2-thiazolyl)ethenyl]phenoxy]acetic acid
IUPAC NAME: 2-[2-[(Z)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(Z)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C15H12N2O3S
MOLECULAR WEIGHT: 300.33238
SMILES: CC1=CSC(=N1)/C(=C\C2=CC=CC=C2OCC(=O)O)/C#N
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Product OPENEYE NAME: 3-[(3,5-dimethylisoxazol-4-yl)methyl]-1-(4-fluorophenyl)-5-methyl-imidazolidine-2,4-dione
CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
IUPAC NAME: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-fluorophenyl)-5-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C16H16FN3O3
MOLECULAR WEIGHT: 317.314943
SMILES: CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)F)CC3=C(ON=C3C)C
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Product OPENEYE NAME: 1-(4-fluorophenyl)-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]imidazolidine-2,4-dione
CAS Name: 1-(4-fluorophenyl)-5-methyl-3-[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]imidazolidine-2,4-dione
IUPAC NAME: 1-(4-fluorophenyl)-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SYSTEMATIC NAME: 1-(4-fluorophenyl)-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C17H16FN3O3
MOLECULAR WEIGHT: 329.325643
SMILES: CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)F)CC(=O)C3=CC=CN3C
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Product OPENEYE NAME: N-allyl-2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]acetamide
CAS Name: 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]-N-prop-2-enylacetamide
IUPAC NAME: 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
SYSTEMATIC NAME: 2-[3-(4-chlorophenyl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-N-prop-2-enyl-ethanamide
MOLECULAR FORMULA: C15H16ClN3O3
MOLECULAR WEIGHT: 321.75884
SMILES: CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)Cl)CC(=O)NCC=C
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Product OPENEYE NAME: N-(2-cyanoethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CAS Name: N-(2-cyanoethyl)-N-(4-methoxyphenyl)benzenesulfonamide
IUPAC NAME: N-(2-cyanoethyl)-N-(4-methoxyphenyl)benzenesulfonamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-(4-methoxyphenyl)benzenesulfonamide
MOLECULAR FORMULA: C16H16N2O3S
MOLECULAR WEIGHT: 316.37484
SMILES: COC1=CC=C(C=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 3-(3,7-diisobutyl-2,6-dioxo-purin-1-yl)propanenitrile
CAS Name: 3-[3,7-bis(2-methylpropyl)-2,6-dioxo-1-purinyl]propanenitrile
IUPAC NAME: 3-[3,7-bis(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[3,7-bis(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]propanenitrile
MOLECULAR FORMULA: C16H23N5O2
MOLECULAR WEIGHT: 317.38612
SMILES: CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CCC#N
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Product OPENEYE NAME: 3-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]propanenitrile
CAS Name: 3-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]propanenitrile
IUPAC NAME: 3-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]propanenitrile
MOLECULAR FORMULA: C16H23N5O3
MOLECULAR WEIGHT: 333.38552
SMILES: CCCCN1C2=C(C(=O)N(C1=O)CCC#N)N(C(=N2)CO)CCC
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Product OPENEYE NAME: (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-phenyl-prop-2-enamide
CAS Name: (E)-N-methyl-3-(1-methyl-4-pyrazolyl)-N-phenyl-2-propenamide
IUPAC NAME: (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-phenyl-prop-2-enamide
MOLECULAR FORMULA: C14H15N3O
MOLECULAR WEIGHT: 241.2884
SMILES: CN1C=C(C=N1)/C=C/C(=O)N(C)C2=CC=CC=C2
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Product OPENEYE NAME: (E)-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-(2-methoxyethyl)-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C10H15N3O2
MOLECULAR WEIGHT: 209.245
SMILES: CN1C=C(C=N1)/C=C/C(=O)NCCOC
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Product OPENEYE NAME: (E)-1-(2,6-dimethylmorpholin-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
CAS Name: (E)-1-(2,6-dimethyl-4-morpholinyl)-3-(1-methyl-4-pyrazolyl)-2-propen-1-one
IUPAC NAME: (E)-1-(2,6-dimethylmorpholin-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(2,6-dimethylmorpholin-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
MOLECULAR FORMULA: C13H19N3O2
MOLECULAR WEIGHT: 249.30886
SMILES: CC1CN(CC(O1)C)C(=O)/C=C/C2=CN(N=C2)C
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Product OPENEYE NAME: (E)-N-benzyl-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-methyl-3-(1-methyl-4-pyrazolyl)-N-(phenylmethyl)-2-propenamide
IUPAC NAME: (E)-N-benzyl-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-(phenylmethyl)prop-2-enamide
MOLECULAR FORMULA: C15H17N3O
MOLECULAR WEIGHT: 255.31498
SMILES: CN1C=C(C=N1)/C=C/C(=O)N(C)CC2=CC=CC=C2
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Product OPENEYE NAME: (E)-N-tert-butyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-tert-butyl-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-tert-butyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-tert-butyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C11H17N3O
MOLECULAR WEIGHT: 207.27218
SMILES: CC(C)(C)NC(=O)/C=C/C1=CN(N=C1)C
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Product OPENEYE NAME: (E)-N-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-(3-methoxypropyl)-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C11H17N3O2
MOLECULAR WEIGHT: 223.27158
SMILES: CN1C=C(C=N1)/C=C/C(=O)NCCCOC
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Product OPENEYE NAME: (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C17H21N3O3
MOLECULAR WEIGHT: 315.36694
SMILES: CN1C=C(C=N1)/C=C/C(=O)NCCC2=CC(=C(C=C2)OC)OC
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Product OPENEYE NAME: (2-methyl-1-piperidyl)-(3-phenylimidazol-4-yl)methanone
CAS Name: (2-methyl-1-piperidinyl)-(3-phenyl-4-imidazolyl)methanone
IUPAC NAME: (2-methylpiperidin-1-yl)-(3-phenylimidazol-4-yl)methanone
SYSTEMATIC NAME: (2-methylpiperidin-1-yl)-(3-phenylimidazol-4-yl)methanone
MOLECULAR FORMULA: C16H19N3O
MOLECULAR WEIGHT: 269.34156
SMILES: CC1CCCCN1C(=O)C2=CN=CN2C3=CC=CC=C3
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Product OPENEYE NAME: (E)-N-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-(2-methylcyclohexyl)-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C14H21N3O
MOLECULAR WEIGHT: 247.33604
SMILES: CC1CCCCC1NC(=O)/C=C/C2=CN(N=C2)C
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Product OPENEYE NAME: ethyl 2-[(7-fluoro-3-methyl-benzofuran-2-carbonyl)amino]thiazole-4-carboxylate
CAS Name: 2-[[(7-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]amino]-4-thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-[(7-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C16H13FN2O4S
MOLECULAR WEIGHT: 348.348823
SMILES: CCOC(=O)C1=CSC(=N1)NC(=O)C2=C(C3=C(O2)C(=CC=C3)F)C
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Product OPENEYE NAME: (E)-N-(4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-(4-methylcyclohexyl)-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-(4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C14H21N3O
MOLECULAR WEIGHT: 247.33604
SMILES: CC1CCC(CC1)NC(=O)/C=C/C2=CN(N=C2)C
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Product OPENEYE NAME: (E)-N-[(3-methoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-[(3-methoxyphenyl)methyl]-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-[(3-methoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3-methoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C15H17N3O2
MOLECULAR WEIGHT: 271.31438
SMILES: CN1C=C(C=N1)/C=C/C(=O)NCC2=CC(=CC=C2)OC
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Product OPENEYE NAME: (E)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C17H19N3O3
MOLECULAR WEIGHT: 313.35106
SMILES: CC(C1=CC2=C(C=C1)OCCO2)NC(=O)/C=C/C3=CN(N=C3)C
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Product OPENEYE NAME: (E)-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C16H19N3O2
MOLECULAR WEIGHT: 285.34096
SMILES: CN1C=C(C=N1)/C=C/C(=O)N(C)CC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (E)-N-[(4-ethylphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-[(4-ethylphenyl)methyl]-N-methyl-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-[(4-ethylphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(4-ethylphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C17H21N3O
MOLECULAR WEIGHT: 283.36814
SMILES: CCC1=CC=C(C=C1)CN(C)C(=O)/C=C/C2=CN(N=C2)C
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Product OPENEYE NAME: N-[(2,4-dichlorophenyl)methyl]-N-methyl-1,1-dioxo-thiolan-3-amine
CAS Name: N-[(2,4-dichlorophenyl)methyl]-N-methyl-1,1-dioxo-3-thiolanamine
IUPAC NAME: N-[(2,4-dichlorophenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SYSTEMATIC NAME: N-[(2,4-dichlorophenyl)methyl]-N-methyl-1,1-bis(oxidanylidene)thiolan-3-amine
MOLECULAR FORMULA: C12H15Cl2NO2S
MOLECULAR WEIGHT: 308.224
SMILES: CN(CC1=C(C=C(C=C1)Cl)Cl)C2CCS(=O)(=O)C2
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