Tuesday, January 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-hydroxy-N-(nonylideneamino)benzamide
CAS Name: 2-hydroxy-N-(nonylideneamino)benzamide
IUPAC NAME: 2-hydroxy-N-(nonylideneamino)benzamide
SYSTEMATIC NAME: N-(nonylideneamino)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C16H24N2O2
MOLECULAR WEIGHT: 276.37396
SMILES: CCCCCCCCC=NNC(=O)C1=CC=CC=C1O
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Product OPENEYE NAME: 4-(4-chloro-2-methyl-phenoxy)-1-(2-methyl-1-piperidyl)butan-1-one
CAS Name: 4-(4-chloro-2-methylphenoxy)-1-(2-methyl-1-piperidinyl)-1-butanone
IUPAC NAME: 4-(4-chloro-2-methylphenoxy)-1-(2-methylpiperidin-1-yl)butan-1-one
SYSTEMATIC NAME: 4-(4-chloranyl-2-methyl-phenoxy)-1-(2-methylpiperidin-1-yl)butan-1-one
MOLECULAR FORMULA: C17H24ClNO2
MOLECULAR WEIGHT: 309.83096
SMILES: CC1CCCCN1C(=O)CCCOC2=C(C=C(C=C2)Cl)C
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Product OPENEYE NAME: N,N'-ditert-butyl-2,2,3,3,4,4,5,5,6,6-decafluoro-heptanediamide
CAS Name: N,N'-ditert-butyl-2,2,3,3,4,4,5,5,6,6-decafluoroheptanediamide
IUPAC NAME: N,N'-ditert-butyl-2,2,3,3,4,4,5,5,6,6-decafluoroheptanediamide
SYSTEMATIC NAME: N,N'-ditert-butyl-2,2,3,3,4,4,5,5,6,6-decakis(fluoranyl)heptanediamide
MOLECULAR FORMULA: C15H20F10N2O2
MOLECULAR WEIGHT: 450.315532
SMILES: CC(C)(C)NC(=O)C(C(C(C(C(C(=O)NC(C)(C)C)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 2,2,3,3,3-pentafluoro-N-[8-(2,2,3,3,3-pentafluoropropanoylamino)octyl]propanamide
CAS Name: 2,2,3,3,3-pentafluoro-N-[8-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]octyl]propanamide
IUPAC NAME: 2,2,3,3,3-pentafluoro-N-[8-(2,2,3,3,3-pentafluoropropanoylamino)octyl]propanamide
SYSTEMATIC NAME: 2,2,3,3,3-pentakis(fluoranyl)-N-[8-[2,2,3,3,3-pentakis(fluoranyl)propanoylamino]octyl]propanamide
MOLECULAR FORMULA: C14H18F10N2O2
MOLECULAR WEIGHT: 436.288952
SMILES: C(CCCCNC(=O)C(C(F)(F)F)(F)F)CCCNC(=O)C(C(F)(F)F)(F)F
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Product OPENEYE NAME: N-cyclooctyl-2,2,3,3,4,4,5,5,5-nonafluoro-pentanamide
CAS Name: N-cyclooctyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
IUPAC NAME: N-cyclooctyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SYSTEMATIC NAME: N-cyclooctyl-2,2,3,3,4,4,5,5,5-nonakis(fluoranyl)pentanamide
MOLECULAR FORMULA: C13H16F9NO
MOLECULAR WEIGHT: 373.257869
SMILES: C1CCCC(CCC1)NC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 4-cyclohexyl-4-methyl-pentan-2-one oxime
CAS Name: 4-cyclohexyl-4-methyl-2-pentanone oxime
IUPAC NAME: N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine
SYSTEMATIC NAME: N-(4-cyclohexyl-4-methyl-pentan-2-ylidene)hydroxylamine
MOLECULAR FORMULA: C12H23NO
MOLECULAR WEIGHT: 197.31712
SMILES: CC(=NO)CC(C)(C)C1CCCCC1
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Product OPENEYE NAME: 3-[benzyl-[4-(trifluoromethyl)benzoyl]amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
CAS Name: 4-hydroxy-N-(2-hydroxyethyl)-3-[[oxo-[4-(trifluoromethyl)phenyl]methyl]-(phenylmethyl)amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
IUPAC NAME: 3-[benzyl-[4-(trifluoromethyl)benzoyl]amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-4-oxidanyl-3-[(phenylmethyl)-[4-(trifluoromethyl)phenyl]carbonyl-amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
MOLECULAR FORMULA: C30H27F3N2O5
MOLECULAR WEIGHT: 552.54099
SMILES: C1=CC=C(C=C1)CN(C2C=C(C3C(C2O)OC4=CC=CC=C34)C(=O)NCCO)C(=O)C5=CC=C(C=C5)C(F)(F)F
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Product OPENEYE NAME: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CAS Name: 2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-N-(4-fluorophenyl)acetamide
IUPAC NAME: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide
MOLECULAR FORMULA: C19H18FN3OS
MOLECULAR WEIGHT: 355.429123
SMILES: CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)F)C
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Product OPENEYE NAME: 4-[butyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 4-[butyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-[butyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: N-[4,6-bis(fluoranyl)-3-methyl-1,3-benzothiazol-2-ylidene]-4-[butyl(methyl)sulfamoyl]benzamide
MOLECULAR FORMULA: C20H21F2N3O3S2
MOLECULAR WEIGHT: 453.525846
SMILES: CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)C
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Product OPENEYE NAME: N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide
CAS Name: N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-thiophenecarboxamide
IUPAC NAME: N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitrothiophene-2-carboxamide
SYSTEMATIC NAME: N-(5-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide
MOLECULAR FORMULA: C14H10ClN3O3S2
MOLECULAR WEIGHT: 367.8305
SMILES: CC1=C(C=CC2=C1N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)C)Cl
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Product OPENEYE NAME: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide
CAS Name: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide
IUPAC NAME: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C19H15N3O4S2
MOLECULAR WEIGHT: 413.4701
SMILES: CC1=C2C(=C(C=C1)OC)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)C
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Product OPENEYE NAME: 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]acetamide
CAS Name: 2-(2,5-dioxo-1-pyrrolidinyl)-N-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]acetamide
IUPAC NAME: 2-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamide
MOLECULAR FORMULA: C12H10N4O5
MOLECULAR WEIGHT: 290.2316
SMILES: C1CC(=O)N(C1=O)CC(=O)NC2=NN=C(O2)C3=CC=CO3
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Product OPENEYE NAME: 2-acetamido-N-(4-bromo-2-fluoro-phenyl)-4-methylsulfonyl-butanamide
CAS Name: 2-acetamido-N-(4-bromo-2-fluorophenyl)-4-methylsulfonylbutanamide
IUPAC NAME: 2-acetamido-N-(4-bromo-2-fluorophenyl)-4-methylsulfonylbutanamide
SYSTEMATIC NAME: 2-acetamido-N-(4-bromanyl-2-fluoranyl-phenyl)-4-methylsulfonyl-butanamide
MOLECULAR FORMULA: C13H16BrFN2O4S
MOLECULAR WEIGHT: 395.244543
SMILES: CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=C(C=C(C=C1)Br)F
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Product OPENEYE NAME: N-(2-furylmethyl)-2-[[6-methyl-4-oxo-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CAS Name: N-(2-furanylmethyl)-2-[[6-methyl-3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
IUPAC NAME: N-(furan-2-ylmethyl)-2-[[6-methyl-3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-[[6-methyl-3-(4-methylphenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C21H21N3O3S2
MOLECULAR WEIGHT: 427.53974
SMILES: CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)C
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Product OPENEYE NAME: 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1-naphthyl)acetamide
CAS Name: 2-[[1-[(4-fluorophenyl)methyl]-3-indolyl]thio]-N-(1-naphthalenyl)acetamide
IUPAC NAME: 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-naphthalen-1-ylacetamide
SYSTEMATIC NAME: 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-naphthalen-1-yl-ethanamide
MOLECULAR FORMULA: C27H21FN2OS
MOLECULAR WEIGHT: 440.531843
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F
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Product OPENEYE NAME: 3,4-dimethoxy-N-[2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
CAS Name: 3,4-dimethoxy-N-[2-[3-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]thio]-1-indolyl]ethyl]benzamide
IUPAC NAME: 3,4-dimethoxy-N-[2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
SYSTEMATIC NAME: 3,4-dimethoxy-N-[2-[3-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
MOLECULAR FORMULA: C28H26F3N3O5S
MOLECULAR WEIGHT: 573.58335
SMILES: COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)OC(F)(F)F)OC
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Product OPENEYE NAME: tricyclohexylplumbane
CAS Name: tricyclohexylplumbane
IUPAC NAME: tricyclohexylplumbane
SYSTEMATIC NAME: tricyclohexylplumbane
MOLECULAR FORMULA: C18H34Pb
MOLECULAR WEIGHT: 457.66256
SMILES: C1CCC(CC1)[PbH](C2CCCCC2)C3CCCCC3
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Product OPENEYE NAME: tris(dimethylsilyl)-[methyl(diphenyl)silyl]silane
CAS Name: tris(dimethylsilyl)-[methyl(diphenyl)silyl]silane
IUPAC NAME: tris(dimethylsilyl)-[methyl(diphenyl)silyl]silane
SYSTEMATIC NAME: tris(dimethylsilyl)-[methyl(diphenyl)silyl]silane
MOLECULAR FORMULA: C19H34Si5
MOLECULAR WEIGHT: 402.90076
SMILES: C[SiH](C)[Si]([SiH](C)C)([SiH](C)C)[Si](C)(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: N-(pyridin-1-ium-2-ylmethyl)-9H-xanthene-9-carboxamide
CAS Name: N-(2-pyridin-1-iumylmethyl)-9H-xanthene-9-carboxamide
IUPAC NAME: N-(pyridin-1-ium-2-ylmethyl)-9H-xanthene-9-carboxamide
SYSTEMATIC NAME: N-(pyridin-1-ium-2-ylmethyl)-9H-xanthene-9-carboxamide
MOLECULAR FORMULA: C20H17N2O2+
MOLECULAR WEIGHT: 317.36118
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCC4=CC=CC=[NH+]4
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Product OPENEYE NAME: N-(pyridin-1-ium-3-ylmethyl)-9H-xanthene-9-carboxamide
CAS Name: N-(3-pyridin-1-iumylmethyl)-9H-xanthene-9-carboxamide
IUPAC NAME: N-(pyridin-1-ium-3-ylmethyl)-9H-xanthene-9-carboxamide
SYSTEMATIC NAME: N-(pyridin-1-ium-3-ylmethyl)-9H-xanthene-9-carboxamide
MOLECULAR FORMULA: C20H17N2O2+
MOLECULAR WEIGHT: 317.36118
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCC4=C[NH+]=CC=C4
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Product OPENEYE NAME: ethyl 4-(2-isopropoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate
CAS Name: 4-methylene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate
SYSTEMATIC NAME: ethyl 4-methylidene-2-oxidanylidene-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate
MOLECULAR FORMULA: C17H22N2O4
MOLECULAR WEIGHT: 318.36758
SMILES: CCOC(=O)C1C(NC(=O)NC1=C)C2=CC=CC=C2OC(C)C
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Product OPENEYE NAME: 4-(3-fluorophenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Name: 4-(3-fluorophenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carbonitrile
IUPAC NAME: 4-(3-fluorophenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carbonitrile
SYSTEMATIC NAME: 4-(3-fluorophenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carbonitrile
MOLECULAR FORMULA: C17H15FN2O
MOLECULAR WEIGHT: 282.312203
SMILES: C=C1C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)F)C#N
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Product OPENEYE NAME: 4-(3-fluorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: 4-(3-fluorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: 4-(3-fluorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 4-(3-fluorophenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C17H15FN2O
MOLECULAR WEIGHT: 282.312203
SMILES: CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=CC=C3)F)C#N
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Product OPENEYE NAME: 2-(4-chloro-2-methyl-phenoxy)-N'-(3-isopropenyl-6-methyl-cyclohexa-1,5-dien-1-yl)acetohydrazide
CAS Name: 2-(4-chloro-2-methylphenoxy)-N'-[6-methyl-3-(1-methylethenyl)-1-cyclohexa-1,5-dienyl]acetohydrazide
IUPAC NAME: 2-(4-chloro-2-methylphenoxy)-N'-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)acetohydrazide
SYSTEMATIC NAME: 2-(4-chloranyl-2-methyl-phenoxy)-N'-(6-methyl-3-prop-1-en-2-yl-cyclohexa-1,5-dien-1-yl)ethanehydrazide
MOLECULAR FORMULA: C19H23ClN2O2
MOLECULAR WEIGHT: 346.85112
SMILES: CC1=CCC(C=C1NNC(=O)COC2=C(C=C(C=C2)Cl)C)C(=C)C
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