Thursday, December 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-morpholinoethyl 5-[[(2R)-1-[4-(1-hydroxyheptyl)phenyl]-5-oxo-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
CAS Name: 5-[[(2R)-1-[4-(1-hydroxyheptyl)phenyl]-5-oxo-2-pyrrolidinyl]methoxymethyl]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 5-[[(2R)-1-[4-(1-hydroxyheptyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 5-[[(2R)-1-[4-(1-oxidanylheptyl)phenyl]-5-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C30H42N2O6S
MOLECULAR WEIGHT: 558.72928
SMILES: CCCCCCC(C1=CC=C(C=C1)N2[C@H](CCC2=O)COCC3=CC=C(S3)C(=O)OCCN4CCOCC4)O
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Product OPENEYE NAME: 2-[[2-[bis(carboxymethyl)amino]-3-[4-[2-(3,4-dihydroxyphenyl)ethylcarbamothioylamino]phenyl]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
CAS Name: 2-[[2-[bis(carboxymethyl)amino]-3-[4-[[[2-(3,4-dihydroxyphenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
IUPAC NAME: 2-[[2-[bis(carboxymethyl)amino]-3-[4-[2-(3,4-dihydroxyphenyl)ethylcarbamothioylamino]phenyl]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[2-[bis(2-hydroxy-2-oxoethyl)amino]-3-[4-[2-[3,4-bis(oxidanyl)phenyl]ethylcarbamothioylamino]phenyl]propyl]-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl]amino]ethanoic acid
MOLECULAR FORMULA: C30H39N5O12S
MOLECULAR WEIGHT: 693.72196
SMILES: C1=CC(=CC=C1CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCC2=CC(=C(C=C2)O)O
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Product OPENEYE NAME: 3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[4-(trifluoromethyloxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C17H10Br2F3N3O4
MOLECULAR WEIGHT: 537.08221
SMILES: C1=CC(=CC=C1CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Br)Br)NO2)OC(F)(F)F
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Product OPENEYE NAME: 3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-(3-pyridylmethyl)-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-(3-pyridinylmethyl)-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-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C23H15Br2F3N4O3
MOLECULAR WEIGHT: 612.19341
SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN(CC2=CN=CC=C2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3
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Product OPENEYE NAME: 3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C17H10Br2F3N3O4
MOLECULAR WEIGHT: 537.08221
SMILES: CN(C1=CC=C(C=C1)OC(F)(F)F)C(=O)C2=NC(=C3C=C(C(=O)C(=C3)Br)Br)NO2
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Product OPENEYE NAME: N-benzhydryl-3-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-N-(diphenylmethyl)-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: N-benzhydryl-3-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-(diphenylmethyl)-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C22H15Br2N3O3
MOLECULAR WEIGHT: 529.1808
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[[3-(2-pyridyloxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[[3-(2-pyridinyloxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C22H16Cl2N4O4
MOLECULAR WEIGHT: 471.29284
SMILES: CN(CC1=CC(=CC=C1)OC2=CC=CC=N2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[[3-(5-pyrimidinyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C21H15Cl2N5O3
MOLECULAR WEIGHT: 456.2815
SMILES: CN(CC1=CC=CC(=C1)C2=CN=CN=C2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(3-pyrimidin-2-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[[3-(2-pyrimidinyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(3-pyrimidin-2-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[(3-pyrimidin-2-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C21H15Cl2N5O3
MOLECULAR WEIGHT: 456.2815
SMILES: CN(CC1=CC=CC(=C1)C2=NC=CC=N2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[[3-(4-pyridyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C22H16Cl2N4O3
MOLECULAR WEIGHT: 455.29344
SMILES: CN(CC1=CC=CC(=C1)C2=CC=NC=C2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[[4-[5-(trifluoromethyl)-2-pyridyl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[[4-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[[4-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C23H15Cl2F3N4O3
MOLECULAR WEIGHT: 523.29141
SMILES: CN(CC1=CC=C(C=C1)C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[[4-(2-pyridyloxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[[4-(2-pyridinyloxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(4-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[(4-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C22H16Cl2N4O4
MOLECULAR WEIGHT: 471.29284
SMILES: CN(CC1=CC=C(C=C1)OC2=CC=CC=N2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 4-fluoro-2-(2-fluoro-4-iodo-anilino)-6-(3-methylbut-3-enoxy)benzamide
CAS Name: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(3-methylbut-3-enoxy)benzamide
IUPAC NAME: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(3-methylbut-3-enoxy)benzamide
SYSTEMATIC NAME: 4-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-(3-methylbut-3-enoxy)benzamide
MOLECULAR FORMULA: C18H17F2IN2O2
MOLECULAR WEIGHT: 458.241056
SMILES: CC(=C)CCOC1=C(C(=CC(=C1)F)NC2=C(C=C(C=C2)I)F)C(=O)N
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Product OPENEYE NAME: 2-cyclopent-3-en-1-yloxy-4-fluoro-6-(2-fluoro-4-iodo-anilino)benzamide
CAS Name: 2-(1-cyclopent-3-enyloxy)-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
IUPAC NAME: 2-cyclopent-3-en-1-yloxy-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
SYSTEMATIC NAME: 2-cyclopent-3-en-1-yloxy-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
MOLECULAR FORMULA: C18H15F2IN2O2
MOLECULAR WEIGHT: 456.225176
SMILES: C1C=CCC1OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N
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