Friday, December 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-allyl-3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C20H14Br2F3N3O3
MOLECULAR WEIGHT: 561.14667
SMILES: C=CCN(CC1=CC(=CC=C1)C(F)(F)F)C(=O)C2=NC(=C3C=C(C(=O)C(=C3)Br)Br)NO2
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Product OPENEYE NAME: 3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C19H14Br2F3N3O3
MOLECULAR WEIGHT: 549.13597
SMILES: CCN(CC1=CC(=CC=C1)C(F)(F)F)C(=O)C2=NC(=C3C=C(C(=O)C(=C3)Br)Br)NO2
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Product OPENEYE NAME: tert-butyl N-[3-[2-cyano-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]phenyl]carbamate
CAS Name: N-[3-[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[3-[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[3-[2-cyano-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]phenyl]carbamate
MOLECULAR FORMULA: C24H20F2IN3O3
MOLECULAR WEIGHT: 563.335176
SMILES: CC(C)(C)OC(=O)NC1=CC(=CC=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C#N
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Product OPENEYE NAME: tert-butyl N-[3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]phenyl]carbamate
CAS Name: N-[3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[3-[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]phenyl]carbamate
MOLECULAR FORMULA: C24H22F2IN3O4
MOLECULAR WEIGHT: 581.350456
SMILES: CC(C)(C)OC(=O)NC1=CC(=CC=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
MOLECULAR FORMULA: C21H19F2IN4O4S
MOLECULAR WEIGHT: 588.366236
SMILES: CN(C)S(=O)(=O)NC1=CC(=CC=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N
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Product OPENEYE NAME: 4-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]phthalic acid
CAS Name: 4-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phthalic acid
IUPAC NAME: 4-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phthalic acid
SYSTEMATIC NAME: 4-[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]phthalic acid
MOLECULAR FORMULA: C21H13F2IN2O6
MOLECULAR WEIGHT: 554.238996
SMILES: C1=CC(=C(C=C1OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N)C(=O)O)C(=O)O
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Product OPENEYE NAME: 4-fluoro-2-(2-fluoro-4-iodo-anilino)-6-[[6-(trifluoromethyl)-2-pyridyl]oxy]benzamide
CAS Name: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
IUPAC NAME: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[6-(trifluoromethyl)pyridin-2-yl]oxybenzamide
SYSTEMATIC NAME: 4-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-[6-(trifluoromethyl)pyridin-2-yl]oxy-benzamide
MOLECULAR FORMULA: C19H11F5IN3O2
MOLECULAR WEIGHT: 535.206026
SMILES: C1=CC(=NC(=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N)C(F)(F)F
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(4-iodo-2-methyl-anilino)benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(4-iodo-2-methylanilino)benzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(4-iodo-2-methylanilino)benzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoranyl-6-[(4-iodanyl-2-methyl-phenyl)amino]benzamide
MOLECULAR FORMULA: C22H22FIN4O4S
MOLECULAR WEIGHT: 584.402353
SMILES: CC1=C(C=CC(=C1)I)NC2=CC(=CC(=C2C(=O)N)OC3=CC=CC(=C3)NS(=O)(=O)N(C)C)F
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Product OPENEYE NAME: 4-fluoro-2-(2-fluoro-4-iodo-anilino)-6-[2-(1-methylsulfonyl-2-piperidyl)ethoxy]benzamide
CAS Name: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[2-(1-methylsulfonyl-2-piperidinyl)ethoxy]benzamide
IUPAC NAME: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[2-(1-methylsulfonylpiperidin-2-yl)ethoxy]benzamide
SYSTEMATIC NAME: 4-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-[2-(1-methylsulfonylpiperidin-2-yl)ethoxy]benzamide
MOLECULAR FORMULA: C21H24F2IN3O4S
MOLECULAR WEIGHT: 579.399236
SMILES: CS(=O)(=O)N1CCCCC1CCOC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N
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Product OPENEYE NAME: 2-[(1-acetyl-4-piperidyl)oxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)benzamide
CAS Name: 2-[(1-acetyl-4-piperidinyl)oxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
IUPAC NAME: 2-(1-acetylpiperidin-4-yl)oxy-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
SYSTEMATIC NAME: 2-(1-ethanoylpiperidin-4-yl)oxy-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
MOLECULAR FORMULA: C20H20F2IN3O3
MOLECULAR WEIGHT: 515.292376
SMILES: CC(=O)N1CCC(CC1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N
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Product OPENEYE NAME: 3-[5-[5-[4-(2-fluorophenyl)-3-methyl-phenyl]-1,2,4-oxadiazol-3-yl]isoindolin-2-yl]cyclobutanecarboxylic acid
CAS Name: 3-[5-[5-[4-(2-fluorophenyl)-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[5-[5-[4-(2-fluorophenyl)-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[5-[5-[4-(2-fluorophenyl)-3-methyl-phenyl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C28H24FN3O3
MOLECULAR WEIGHT: 469.506863
SMILES: CC1=C(C=CC(=C1)C2=NC(=NO2)C3=CC4=C(CN(C4)C5CC(C5)C(=O)O)C=C3)C6=CC=CC=C6F
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Product OPENEYE NAME: 3-[5-[5-(3-methyl-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]isoindolin-2-yl]cyclobutanecarboxylic acid
CAS Name: 3-[5-[5-(3-methyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[5-[5-(3-methyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[5-[5-(3-methyl-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C28H25N3O3
MOLECULAR WEIGHT: 451.5164
SMILES: CC1=C(C=CC(=C1)C2=NC(=NO2)C3=CC4=C(CN(C4)C5CC(C5)C(=O)O)C=C3)C6=CC=CC=C6
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Product OPENEYE NAME: 3-[5-[5-[3-methyl-4-(3-thienyl)phenyl]-1,2,4-oxadiazol-3-yl]isoindolin-2-yl]cyclobutanecarboxylic acid
CAS Name: 3-[5-[5-[3-methyl-4-(3-thiophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[5-[5-(3-methyl-4-thiophen-3-ylphenyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[5-[5-(3-methyl-4-thiophen-3-yl-phenyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C26H23N3O3S
MOLECULAR WEIGHT: 457.54412
SMILES: CC1=C(C=CC(=C1)C2=NC(=NO2)C3=CC4=C(CN(C4)C5CC(C5)C(=O)O)C=C3)C6=CSC=C6
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Product OPENEYE NAME: 3-[5-[5-[4-(3-furyl)-3,5-dimethyl-phenyl]-1,2,4-oxadiazol-3-yl]isoindolin-2-yl]cyclobutanecarboxylic acid
CAS Name: 3-[5-[5-[4-(3-furanyl)-3,5-dimethylphenyl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[5-[5-[4-(furan-3-yl)-3,5-dimethylphenyl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[5-[5-[4-(furan-3-yl)-3,5-dimethyl-phenyl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C27H25N3O4
MOLECULAR WEIGHT: 455.5051
SMILES: CC1=CC(=CC(=C1C2=COC=C2)C)C3=NC(=NO3)C4=CC5=C(CN(C5)C6CC(C6)C(=O)O)C=C4
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Product OPENEYE NAME: N-[[(3R)-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
CAS Name: N-[[(3R)-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propanamine
IUPAC NAME: N-[[(3R)-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
SYSTEMATIC NAME: N-[[(3R)-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
MOLECULAR FORMULA: C13H19NO4S
MOLECULAR WEIGHT: 285.35926
SMILES: CCCNC[C@@H]1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
CAS Name: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
IUPAC NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
SYSTEMATIC NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C12H17NO4S
MOLECULAR WEIGHT: 271.33268
SMILES: CCNCC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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