Thursday, January 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2H-benzotriazole-5-carboxamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2H-benzotriazole-5-carboxamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2H-benzotriazole-5-carboxamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2H-benzotriazole-5-carboxamide
MOLECULAR FORMULA: C17H16N4O3
MOLECULAR WEIGHT: 324.33394
SMILES: CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC4=NNN=C4C=C3
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Product OPENEYE NAME: (E)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C16H17N3O3
MOLECULAR WEIGHT: 299.32448
SMILES: CN1C=C(C=N1)/C=C/C(=O)N(C)CC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: 1-acetyl-N-(2-phenylbutyl)pyrrolidine-2-carboxamide
CAS Name: 1-acetyl-N-(2-phenylbutyl)-2-pyrrolidinecarboxamide
IUPAC NAME: 1-acetyl-N-(2-phenylbutyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: 1-ethanoyl-N-(2-phenylbutyl)pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C17H24N2O2
MOLECULAR WEIGHT: 288.38466
SMILES: CCC(CNC(=O)C1CCCN1C(=O)C)C2=CC=CC=C2
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Product OPENEYE NAME: N,4-dimethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)thiazole-5-carboxamide
CAS Name: N,4-dimethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-5-thiazolecarboxamide
IUPAC NAME: N,4-dimethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N,4-dimethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C14H19N5OS
MOLECULAR WEIGHT: 305.39856
SMILES: CC1=C(SC(=N1)CC2=NN=C3N2CCCCC3)C(=O)NC
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Product OPENEYE NAME: N'-[(E)-(2,5-dimethylpyrrol-3-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CAS Name: N'-[(E)-(2,5-dimethyl-3-pyrrolylidene)methyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide
IUPAC NAME: N'-[(E)-(2,5-dimethylpyrrol-3-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SYSTEMATIC NAME: N'-[(E)-(2,5-dimethylpyrrol-3-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
MOLECULAR FORMULA: C16H17N3O3
MOLECULAR WEIGHT: 299.32448
SMILES: CC1=C/C(=C\NNC(=O)C2COC3=CC=CC=C3O2)/C(=N1)C
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Product OPENEYE NAME: 4-[[(E)-(2,5-dimethylpyrrol-3-ylidene)methyl]amino]-3-(o-tolyl)-1H-1,2,4-triazole-5-thione
CAS Name: 4-[[(E)-(2,5-dimethyl-3-pyrrolylidene)methyl]amino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-[[(E)-(2,5-dimethylpyrrol-3-ylidene)methyl]amino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-[[(E)-(2,5-dimethylpyrrol-3-ylidene)methyl]amino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C16H17N5S
MOLECULAR WEIGHT: 311.40468
SMILES: CC1=CC=CC=C1C2=NNC(=S)N2N/C=C/3\C=C(N=C3C)C
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Product OPENEYE NAME: 4-[(5Z)-5-[(3,4-difluorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid
CAS Name: 4-[(5Z)-5-[(3,4-difluorophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid
IUPAC NAME: 4-[(5Z)-5-[(3,4-difluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
SYSTEMATIC NAME: 4-[(5Z)-5-[[3,4-bis(fluoranyl)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
MOLECULAR FORMULA: C14H11F2NO3S2
MOLECULAR WEIGHT: 343.368846
SMILES: C1=CC(=C(C=C1/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O)F)F
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Product OPENEYE NAME: 2-(4-acetylphenoxy)-1-(3-fluoro-4-methoxy-phenyl)ethanone
CAS Name: 2-(4-acetylphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
IUPAC NAME: 2-(4-acetylphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 2-(4-ethanoylphenoxy)-1-(3-fluoranyl-4-methoxy-phenyl)ethanone
MOLECULAR FORMULA: C17H15FO4
MOLECULAR WEIGHT: 302.297003
SMILES: CC(=O)C1=CC=C(C=C1)OCC(=O)C2=CC(=C(C=C2)OC)F
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Product OPENEYE NAME: 7-[(2-fluorophenoxy)methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(2-fluorophenoxy)methyl]-3-methyl-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(2-fluorophenoxy)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(2-fluoranylphenoxy)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C14H11FN2O2S
MOLECULAR WEIGHT: 290.312743
SMILES: CC1=CSC2=NC(=CC(=O)N12)COC3=CC=CC=C3F
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Product OPENEYE NAME: 3-methyl-7-(2-pyridylsulfanylmethyl)thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 3-methyl-7-[(2-pyridinylthio)methyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 3-methyl-7-(pyridin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 3-methyl-7-(pyridin-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C13H11N3OS2
MOLECULAR WEIGHT: 289.37594
SMILES: CC1=CSC2=NC(=CC(=O)N12)CSC3=CC=CC=N3
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Product OPENEYE NAME: 1,3-dimethyl-7-[1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]purine-2,6-dione
CAS Name: 1,3-dimethyl-7-[1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]purine-2,6-dione
IUPAC NAME: 1,3-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]purine-2,6-dione
MOLECULAR FORMULA: C16H23N5O3
MOLECULAR WEIGHT: 333.38552
SMILES: CC1CCN(CC1)C(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C
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Product OPENEYE NAME: prop-2-ynyl 4-chloro-3-(thiophene-2-carbonylamino)benzoate
CAS Name: 4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid prop-2-ynyl ester
IUPAC NAME: prop-2-ynyl 4-chloro-3-(thiophene-2-carbonylamino)benzoate
SYSTEMATIC NAME: prop-2-ynyl 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate
MOLECULAR FORMULA: C15H10ClNO3S
MOLECULAR WEIGHT: 319.7628
SMILES: C#CCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CS2
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Product OPENEYE NAME: N-(cyclohexen-1-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CAS Name: N-(1-cyclohexenyl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamide
IUPAC NAME: N-(cyclohexen-1-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SYSTEMATIC NAME: N-(cyclohexen-1-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamide
MOLECULAR FORMULA: C16H20N4OS
MOLECULAR WEIGHT: 316.4212
SMILES: CCN(C1=CCCCC1)C(=O)CSC2=NN=C3N2C=CC=C3
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Product OPENEYE NAME: 7-[3-(1,3-dioxoisoindolin-2-yl)propyl]-7,9-diazaspiro[4.4]nonane-6,8-dione
CAS Name: 7-[3-(1,3-dioxo-2-isoindolyl)propyl]-7,9-diazaspiro[4.4]nonane-6,8-dione
IUPAC NAME: 7-[3-(1,3-dioxoisoindol-2-yl)propyl]-7,9-diazaspiro[4.4]nonane-6,8-dione
SYSTEMATIC NAME: 7-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-7,9-diazaspiro[4.4]nonane-6,8-dione
MOLECULAR FORMULA: C18H19N3O4
MOLECULAR WEIGHT: 341.36116
SMILES: C1CCC2(C1)C(=O)N(C(=O)N2)CCCN3C(=O)C4=CC=CC=C4C3=O
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