Thursday, January 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CAS Name: 2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
IUPAC NAME: 2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
SYSTEMATIC NAME: 2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
MOLECULAR FORMULA: C18H18NO5S-
MOLECULAR WEIGHT: 360.40422
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]
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Product OPENEYE NAME: 2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CAS Name: 2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
IUPAC NAME: 2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
SYSTEMATIC NAME: 2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
MOLECULAR FORMULA: C18H18NO6S-
MOLECULAR WEIGHT: 376.40362
SMILES: COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]
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Product OPENEYE NAME: 3-phenyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-isoindolin-2-yl)propanoate
CAS Name: 3-phenyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-2-isoindolyl)propanoate
IUPAC NAME: 3-phenyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoate
SYSTEMATIC NAME: 3-phenyl-2-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate
MOLECULAR FORMULA: C17H8Cl4NO4-
MOLECULAR WEIGHT: 432.06172
SMILES: C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl
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Product OPENEYE NAME: 3-phenyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-isoindolin-2-yl)propanoic acid
CAS Name: 3-phenyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-2-isoindolyl)propanoic acid
IUPAC NAME: 3-phenyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoic acid
SYSTEMATIC NAME: 3-phenyl-2-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid
MOLECULAR FORMULA: C17H9Cl4NO4
MOLECULAR WEIGHT: 433.06966
SMILES: C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl
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Product OPENEYE NAME: 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxy-ethanone
CAS Name: 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
IUPAC NAME: 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
SYSTEMATIC NAME: 1-(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxy-ethanone
MOLECULAR FORMULA: C18H18FNO2
MOLECULAR WEIGHT: 299.339423
SMILES: CC1CCC2=C(N1C(=O)COC3=CC=CC=C3)C=CC(=C2)F
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Product OPENEYE NAME: 2-bromo-N-[1-(5-methyl-2-thienyl)ethylideneamino]benzamide
CAS Name: 2-bromo-N-[1-(5-methyl-2-thiophenyl)ethylideneamino]benzamide
IUPAC NAME: 2-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
SYSTEMATIC NAME: 2-bromanyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
MOLECULAR FORMULA: C14H13BrN2OS
MOLECULAR WEIGHT: 337.23482
SMILES: CC1=CC=C(S1)C(=NNC(=O)C2=CC=CC=C2Br)C
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Product OPENEYE NAME: N-(1-methylhexyl)-4-nitro-benzamide
CAS Name: N-heptan-2-yl-4-nitrobenzamide
IUPAC NAME: N-heptan-2-yl-4-nitrobenzamide
SYSTEMATIC NAME: N-heptan-2-yl-4-nitro-benzamide
MOLECULAR FORMULA: C14H20N2O3
MOLECULAR WEIGHT: 264.3202
SMILES: CCCCCC(C)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: N-[(2-chloro-6-fluoro-phenyl)methyleneamino]-4-phenyl-benzamide
CAS Name: N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-phenylbenzamide
IUPAC NAME: N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-phenylbenzamide
SYSTEMATIC NAME: N-[(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-4-phenyl-benzamide
MOLECULAR FORMULA: C20H14ClFN2O
MOLECULAR WEIGHT: 352.789363
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NN=CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 3-(diethylamino)propyl 2-hydroxy-2-(4-methoxyphenyl)-2-phenyl-acetate
CAS Name: 2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetic acid 3-(diethylamino)propyl ester
IUPAC NAME: 3-(diethylamino)propyl 2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetate
SYSTEMATIC NAME: 3-(diethylamino)propyl 2-(4-methoxyphenyl)-2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C22H29NO4
MOLECULAR WEIGHT: 371.46996
SMILES: CCN(CC)CCCOC(=O)C(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)O
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Product OPENEYE NAME: 2-methyl-N-(4-phenylazophenyl)benzamide
CAS Name: 2-methyl-N-(4-phenyldiazenylphenyl)benzamide
IUPAC NAME: 2-methyl-N-(4-phenyldiazenylphenyl)benzamide
SYSTEMATIC NAME: 2-methyl-N-(4-phenyldiazenylphenyl)benzamide
MOLECULAR FORMULA: C20H17N3O
MOLECULAR WEIGHT: 315.36848
SMILES: CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-ethoxy-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-methyl-1,3-benzothiazole
CAS Name: 2-[2-ethoxy-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-methyl-1,3-benzothiazole
IUPAC NAME: 2-[2-ethoxy-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-methyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-[2-ethoxy-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-methyl-1,3-benzothiazole
MOLECULAR FORMULA: C24H25N2OS2+
MOLECULAR WEIGHT: 421.5981
SMILES: CC[N+]1=C(SC2=CC=CC=C21)C=CC=C(C=C3N(C4=CC=CC=C4S3)C)OCC
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Product OPENEYE NAME: (1-butylquinuclidin-1-ium-3-yl) acetate
CAS Name: acetic acid (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester
IUPAC NAME: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate
SYSTEMATIC NAME: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) ethanoate
MOLECULAR FORMULA: C13H24NO2+
MOLECULAR WEIGHT: 226.33516
SMILES: CCCC[N+]12CCC(CC1)C(C2)OC(=O)C
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Product OPENEYE NAME: N-(2-cyanophenyl)-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CAS Name: N-(2-cyanophenyl)-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)thio]acetamide
IUPAC NAME: N-(2-cyanophenyl)-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SYSTEMATIC NAME: 2-[[4,6-bis(oxidanylidene)-5-phenyl-1H-pyrimidin-2-yl]sulfanyl]-N-(2-cyanophenyl)ethanamide
MOLECULAR FORMULA: C19H14N4O3S
MOLECULAR WEIGHT: 378.40446
SMILES: C1=CC=C(C=C1)C2C(=O)NC(=NC2=O)SCC(=O)NC3=CC=CC=C3C#N
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Product OPENEYE NAME: N-(3,4-dichloro-5-oxo-1,2-dihydropyrrol-2-yl)benzamide
CAS Name: N-(3,4-dichloro-5-oxo-1,2-dihydropyrrol-2-yl)benzamide
IUPAC NAME: N-(3,4-dichloro-5-oxo-1,2-dihydropyrrol-2-yl)benzamide
SYSTEMATIC NAME: N-[3,4-bis(chloranyl)-5-oxidanylidene-1,2-dihydropyrrol-2-yl]benzamide
MOLECULAR FORMULA: C11H8Cl2N2O2
MOLECULAR WEIGHT: 271.09942
SMILES: C1=CC=C(C=C1)C(=O)NC2C(=C(C(=O)N2)Cl)Cl
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Product OPENEYE NAME: 1,1,2,2,3,3,4,4-octafluoro-1-(trifluoromethoxy)-4-(1,2,2-trifluorovinyloxy)butane
CAS Name: 1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)-4-(trifluoromethoxy)butane
IUPAC NAME: 1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)-4-(trifluoromethoxy)butane
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4-octakis(fluoranyl)-1-(trifluoromethyloxy)-4-[1,2,2-tris(fluoranyl)ethenoxy]butane
MOLECULAR FORMULA: C7F14O2
MOLECULAR WEIGHT: 382.051345
SMILES: C(=C(F)F)(OC(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
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Product OPENEYE NAME: 6-[(2-chlorophenyl)methylene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
CAS Name: 6-[(2-chlorophenyl)methylidene]-5-imino-3-(methylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
IUPAC NAME: 6-[(2-chlorophenyl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-azanylidene-6-[(2-chlorophenyl)methylidene]-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
MOLECULAR FORMULA: C13H9ClN4OS2
MOLECULAR WEIGHT: 336.81976
SMILES: CSC1=NSC2=NC(=O)C(=CC3=CC=CC=C3Cl)C(=N)N21
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Product OPENEYE NAME: 1-(2-furylmethyl)-3-(4-methyl-2-morpholino-6-quinolyl)thiourea
CAS Name: 1-(2-furanylmethyl)-3-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]thiourea
IUPAC NAME: 1-(furan-2-ylmethyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-quinolin-6-yl)thiourea
MOLECULAR FORMULA: C20H22N4O2S
MOLECULAR WEIGHT: 382.47928
SMILES: CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCC3=CC=CO3)N4CCOCC4
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Product OPENEYE NAME: 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-morpholinosulfonyl-indoline-2,3-dione
CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5-(4-morpholinylsulfonyl)indole-2,3-dione
IUPAC NAME: 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
SYSTEMATIC NAME: 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-morpholin-4-ylsulfonyl-indole-2,3-dione
MOLECULAR FORMULA: C23H25ClN4O5S
MOLECULAR WEIGHT: 504.9864
SMILES: C1CN(CCN1CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=O)C2=O)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME: N-isopropyl-2-[[2-(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide
CAS Name: 2-[[1-oxo-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethyl]amino]-N-propan-2-ylacetamide
IUPAC NAME: 2-[[2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[2-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanoylamino]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C17H22N4O3S
MOLECULAR WEIGHT: 362.44658
SMILES: CC(C)NC(=O)CNC(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCCC3
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Product OPENEYE NAME: ethyl 4-[(1-acetyl-5-bromo-indolin-7-yl)sulfonylamino]piperidine-1-carboxylate
CAS Name: 4-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonylamino]-1-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonylamino]piperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonylamino]piperidine-1-carboxylate
MOLECULAR FORMULA: C18H24BrN3O5S
MOLECULAR WEIGHT: 474.36926
SMILES: CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H17ClN4O2S
MOLECULAR WEIGHT: 424.90328
SMILES: C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CN4C3=NC5=C(C4=O)SC=C5
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Product OPENEYE NAME: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
CAS Name: 2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-oxolanylmethyl)acetamide
IUPAC NAME: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C21H20N4O2S
MOLECULAR WEIGHT: 392.4741
SMILES: C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42
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Product OPENEYE NAME: 2-(4-ethoxyphenyl)-5-hexyl-1,3-dioxane
CAS Name: 2-(4-ethoxyphenyl)-5-hexyl-1,3-dioxane
IUPAC NAME: 2-(4-ethoxyphenyl)-5-hexyl-1,3-dioxane
SYSTEMATIC NAME: 2-(4-ethoxyphenyl)-5-hexyl-1,3-dioxane
MOLECULAR FORMULA: C18H28O3
MOLECULAR WEIGHT: 292.41312
SMILES: CCCCCCC1COC(OC1)C2=CC=C(C=C2)OCC
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Product OPENEYE NAME: 4-chloro-2-isopropoxy-3-(4-methoxyanilino)-2H-furan-5-one
CAS Name: 4-chloro-3-(4-methoxyanilino)-2-propan-2-yloxy-2H-furan-5-one
IUPAC NAME: 4-chloro-3-(4-methoxyanilino)-2-propan-2-yloxy-2H-furan-5-one
SYSTEMATIC NAME: 4-chloranyl-3-[(4-methoxyphenyl)amino]-2-propan-2-yloxy-2H-furan-5-one
MOLECULAR FORMULA: C14H16ClNO4
MOLECULAR WEIGHT: 297.73414
SMILES: CC(C)OC1C(=C(C(=O)O1)Cl)NC2=CC=C(C=C2)OC
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