Monday, November 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [1-(2,3-dihydrobenzofuran-5-yl)ethylideneamino] acetate
CAS Name: acetic acid [1-(2,3-dihydrobenzofuran-5-yl)ethylideneamino] ester
IUPAC NAME: [1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneamino] acetate
SYSTEMATIC NAME: [1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneamino] ethanoate
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CC(=NOC(=O)C)C1=CC2=C(C=C1)OCC2
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Product OPENEYE NAME: N-(5-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: N-(5-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: N-(5-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: N-(5-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C18H15N3O3
MOLECULAR WEIGHT: 321.33
SMILES: C1C(OC2=CC=CC=C2O1)C(=O)NC3=NNC(=C3)C4=CC=CC=C4
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Product OPENEYE NAME: N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C16H19N3O3
MOLECULAR WEIGHT: 301.34036
SMILES: CC(C)(C)C1=CC(=NN1)NC(=O)C2COC3=CC=CC=C3O2
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Product OPENEYE NAME: N-(2-methyl-5-phenyl-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: N-(2-methyl-5-phenyl-3-pyrazolyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: N-(2-methyl-5-phenylpyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: N-(2-methyl-5-phenyl-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C19H17N3O3
MOLECULAR WEIGHT: 335.35658
SMILES: CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3COC4=CC=CC=C4O3
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Product OPENEYE NAME: methyl 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoate
CAS Name: 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoate
SYSTEMATIC NAME: methyl 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoate
MOLECULAR FORMULA: C19H21NO5
MOLECULAR WEIGHT: 343.37374
SMILES: CC(=NOCC1=CC=CC(=C1)C(=O)OC)C2=CC(=C(C=C2)OC)OC
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Product OPENEYE NAME: N,N-dimethyl-2-(2-phenoxyethylsulfanyl)acetamide
CAS Name: N,N-dimethyl-2-(2-phenoxyethylthio)acetamide
IUPAC NAME: N,N-dimethyl-2-(2-phenoxyethylsulfanyl)acetamide
SYSTEMATIC NAME: N,N-dimethyl-2-(2-phenoxyethylsulfanyl)ethanamide
MOLECULAR FORMULA: C12H17NO2S
MOLECULAR WEIGHT: 239.33388
SMILES: CN(C)C(=O)CSCCOC1=CC=CC=C1
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Product OPENEYE NAME: 1-morpholino-2-(2-phenoxyethylsulfanyl)ethanone
CAS Name: 1-(4-morpholinyl)-2-(2-phenoxyethylthio)ethanone
IUPAC NAME: 1-morpholin-4-yl-2-(2-phenoxyethylsulfanyl)ethanone
SYSTEMATIC NAME: 1-morpholin-4-yl-2-(2-phenoxyethylsulfanyl)ethanone
MOLECULAR FORMULA: C14H19NO3S
MOLECULAR WEIGHT: 281.37056
SMILES: C1COCCN1C(=O)CSCCOC2=CC=CC=C2
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Product OPENEYE NAME: 2-(2-phenoxyethylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CAS Name: 2-(2-phenoxyethylthio)-1-(1-pyrrolidinyl)ethanone
IUPAC NAME: 2-(2-phenoxyethylsulfanyl)-1-pyrrolidin-1-ylethanone
SYSTEMATIC NAME: 2-(2-phenoxyethylsulfanyl)-1-pyrrolidin-1-yl-ethanone
MOLECULAR FORMULA: C14H19NO2S
MOLECULAR WEIGHT: 265.37116
SMILES: C1CCN(C1)C(=O)CSCCOC2=CC=CC=C2
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Product OPENEYE NAME: 3-bromo-2-tert-butyl-5-ethyl-7-methyl-pyrazolo[1,5-a]pyrimidine
CAS Name: 3-bromo-2-tert-butyl-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine
IUPAC NAME: 3-bromo-2-tert-butyl-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 3-bromanyl-2-tert-butyl-5-ethyl-7-methyl-pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C13H18BrN3
MOLECULAR WEIGHT: 296.20612
SMILES: CCC1=NC2=C(C(=NN2C(=C1)C)C(C)(C)C)Br
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Product OPENEYE NAME: 2-(2-phenoxyethylsulfanyl)-N-(2-thienylmethyl)acetamide
CAS Name: 2-(2-phenoxyethylthio)-N-(thiophen-2-ylmethyl)acetamide
IUPAC NAME: 2-(2-phenoxyethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-(2-phenoxyethylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C15H17NO2S2
MOLECULAR WEIGHT: 307.43098
SMILES: C1=CC=C(C=C1)OCCSCC(=O)NCC2=CC=CS2
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Product OPENEYE NAME: N-(2-furylmethyl)-2-(2-phenoxyethylsulfanyl)acetamide
CAS Name: N-(2-furanylmethyl)-2-(2-phenoxyethylthio)acetamide
IUPAC NAME: N-(furan-2-ylmethyl)-2-(2-phenoxyethylsulfanyl)acetamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-(2-phenoxyethylsulfanyl)ethanamide
MOLECULAR FORMULA: C15H17NO3S
MOLECULAR WEIGHT: 291.36538
SMILES: C1=CC=C(C=C1)OCCSCC(=O)NCC2=CC=CO2
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Product OPENEYE NAME: 2-(2-phenoxyethylsulfanyl)-N-(4-pyridylmethyl)acetamide
CAS Name: 2-(2-phenoxyethylthio)-N-(pyridin-4-ylmethyl)acetamide
IUPAC NAME: 2-(2-phenoxyethylsulfanyl)-N-(pyridin-4-ylmethyl)acetamide
SYSTEMATIC NAME: 2-(2-phenoxyethylsulfanyl)-N-(pyridin-4-ylmethyl)ethanamide
MOLECULAR FORMULA: C16H18N2O2S
MOLECULAR WEIGHT: 302.39132
SMILES: C1=CC=C(C=C1)OCCSCC(=O)NCC2=CC=NC=C2
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