Sunday, July 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (3E)-5-hydroxy-3-(hydroxymethylene)-2,2-dimethyl-7-pentoxy-chroman-4-one
CAS Name: (3E)-5-hydroxy-3-(hydroxymethylidene)-2,2-dimethyl-7-pentoxy-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: (3E)-5-hydroxy-3-(hydroxymethylidene)-2,2-dimethyl-7-pentoxychromen-4-one
SYSTEMATIC NAME: (3E)-2,2-dimethyl-5-oxidanyl-3-(oxidanylmethylidene)-7-pentoxy-chromen-4-one
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: CCCCCOC1=CC(=C2C(=C1)OC(/C(=C\O)/C2=O)(C)C)O
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Product OPENEYE NAME: 4,4-dimethyl-7-pentoxy-1,2-dihydrochromeno[4,3-c]pyrazol-9-one
CAS Name: 4,4-dimethyl-7-pentoxy-1,2-dihydro[1]benzopyrano[4,3-c]pyrazol-9-one
IUPAC NAME: 4,4-dimethyl-7-pentoxy-1,2-dihydrochromeno[4,3-c]pyrazol-9-one
SYSTEMATIC NAME: 4,4-dimethyl-7-pentoxy-1,2-dihydrochromeno[4,3-c]pyrazol-9-one
MOLECULAR FORMULA: C17H22N2O3
MOLECULAR WEIGHT: 302.36818
SMILES: CCCCCOC1=CC(=O)C2=C3C(=CNN3)C(OC2=C1)(C)C
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Product OPENEYE NAME: 1,4,4-trimethyl-7-pentyl-2H-chromeno[4,3-c]pyrazol-9-one
CAS Name: 1,4,4-trimethyl-7-pentyl-2H-[1]benzopyrano[4,3-c]pyrazol-9-one
IUPAC NAME: 1,4,4-trimethyl-7-pentyl-2H-chromeno[4,3-c]pyrazol-9-one
SYSTEMATIC NAME: 1,4,4-trimethyl-7-pentyl-2H-chromeno[4,3-c]pyrazol-9-one
MOLECULAR FORMULA: C18H24N2O2
MOLECULAR WEIGHT: 300.39536
SMILES: CCCCCC1=CC(=O)C2=C3C(=CNN3C)C(OC2=C1)(C)C
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Product OPENEYE NAME: 1,4,4-trimethyl-7-pentoxy-2H-chromeno[4,3-c]pyrazol-9-one
CAS Name: 1,4,4-trimethyl-7-pentoxy-2H-[1]benzopyrano[4,3-c]pyrazol-9-one
IUPAC NAME: 1,4,4-trimethyl-7-pentoxy-2H-chromeno[4,3-c]pyrazol-9-one
SYSTEMATIC NAME: 1,4,4-trimethyl-7-pentoxy-2H-chromeno[4,3-c]pyrazol-9-one
MOLECULAR FORMULA: C18H24N2O3
MOLECULAR WEIGHT: 316.39476
SMILES: CCCCCOC1=CC(=O)C2=C3C(=CNN3C)C(OC2=C1)(C)C
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Product OPENEYE NAME: 4,4-dimethyl-7-pentyl-1-phenyl-2H-chromeno[4,3-c]pyrazol-9-one
CAS Name: 4,4-dimethyl-7-pentyl-1-phenyl-2H-[1]benzopyrano[4,3-c]pyrazol-9-one
IUPAC NAME: 4,4-dimethyl-7-pentyl-1-phenyl-2H-chromeno[4,3-c]pyrazol-9-one
SYSTEMATIC NAME: 4,4-dimethyl-7-pentyl-1-phenyl-2H-chromeno[4,3-c]pyrazol-9-one
MOLECULAR FORMULA: C23H26N2O2
MOLECULAR WEIGHT: 362.46474
SMILES: CCCCCC1=CC(=O)C2=C3C(=CNN3C4=CC=CC=C4)C(OC2=C1)(C)C
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Product OPENEYE NAME: 2,4,4-trimethyl-7-pentyl-1H-chromeno[4,3-c]pyrazol-9-one
CAS Name: 2,4,4-trimethyl-7-pentyl-1H-[1]benzopyrano[4,3-c]pyrazol-9-one
IUPAC NAME: 2,4,4-trimethyl-7-pentyl-1H-chromeno[4,3-c]pyrazol-9-one
SYSTEMATIC NAME: 2,4,4-trimethyl-7-pentyl-1H-chromeno[4,3-c]pyrazol-9-one
MOLECULAR FORMULA: C18H24N2O2
MOLECULAR WEIGHT: 300.39536
SMILES: CCCCCC1=CC(=O)C2=C3C(=CN(N3)C)C(OC2=C1)(C)C
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Product OPENEYE NAME: 4,4-dimethyl-7-pentoxy-1-phenyl-2H-chromeno[4,3-c]pyrazol-9-one
CAS Name: 4,4-dimethyl-7-pentoxy-1-phenyl-2H-[1]benzopyrano[4,3-c]pyrazol-9-one
IUPAC NAME: 4,4-dimethyl-7-pentoxy-1-phenyl-2H-chromeno[4,3-c]pyrazol-9-one
SYSTEMATIC NAME: 4,4-dimethyl-7-pentoxy-1-phenyl-2H-chromeno[4,3-c]pyrazol-9-one
MOLECULAR FORMULA: C23H26N2O3
MOLECULAR WEIGHT: 378.46414
SMILES: CCCCCOC1=CC(=O)C2=C3C(=CNN3C4=CC=CC=C4)C(OC2=C1)(C)C
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Product OPENEYE NAME: 2,4,4-trimethyl-7-pentoxy-1H-chromeno[4,3-c]pyrazol-9-one
CAS Name: 2,4,4-trimethyl-7-pentoxy-1H-[1]benzopyrano[4,3-c]pyrazol-9-one
IUPAC NAME: 2,4,4-trimethyl-7-pentoxy-1H-chromeno[4,3-c]pyrazol-9-one
SYSTEMATIC NAME: 2,4,4-trimethyl-7-pentoxy-1H-chromeno[4,3-c]pyrazol-9-one
MOLECULAR FORMULA: C18H24N2O3
MOLECULAR WEIGHT: 316.39476
SMILES: CCCCCOC1=CC(=O)C2=C3C(=CN(N3)C)C(OC2=C1)(C)C
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Product OPENEYE NAME: (3Z)-5-hydroxy-2,2-dimethyl-7-pentyl-3-[(2-phenylhydrazino)methylene]chroman-4-one
CAS Name: (3Z)-5-hydroxy-2,2-dimethyl-7-pentyl-3-[(phenylhydrazo)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: (3Z)-5-hydroxy-2,2-dimethyl-7-pentyl-3-[(2-phenylhydrazinyl)methylidene]chromen-4-one
SYSTEMATIC NAME: (3Z)-2,2-dimethyl-5-oxidanyl-7-pentyl-3-[(2-phenylhydrazinyl)methylidene]chromen-4-one
MOLECULAR FORMULA: C23H28N2O3
MOLECULAR WEIGHT: 380.48002
SMILES: CCCCCC1=CC2=C(C(=C1)O)C(=O)/C(=C\NNC3=CC=CC=C3)/C(O2)(C)C
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Product OPENEYE NAME: (3Z)-5-hydroxy-2,2-dimethyl-7-pentoxy-3-[(2-phenylhydrazino)methylene]chroman-4-one
CAS Name: (3Z)-5-hydroxy-2,2-dimethyl-7-pentoxy-3-[(phenylhydrazo)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: (3Z)-5-hydroxy-2,2-dimethyl-7-pentoxy-3-[(2-phenylhydrazinyl)methylidene]chromen-4-one
SYSTEMATIC NAME: (3Z)-2,2-dimethyl-5-oxidanyl-7-pentoxy-3-[(2-phenylhydrazinyl)methylidene]chromen-4-one
MOLECULAR FORMULA: C23H28N2O4
MOLECULAR WEIGHT: 396.47942
SMILES: CCCCCOC1=CC(=C2C(=C1)OC(/C(=C/NNC3=CC=CC=C3)/C2=O)(C)C)O
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Product OPENEYE NAME: (1E)-2,2,2-trifluoro-N-phenyl-ethanehydrazonoyl bromide
CAS Name: (1E)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide
IUPAC NAME: (1E)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide
SYSTEMATIC NAME: (1E)-2,2,2-tris(fluoranyl)-N-phenyl-ethanehydrazonoyl bromide
MOLECULAR FORMULA: C8H6BrF3N2
MOLECULAR WEIGHT: 267.04585
SMILES: C1=CC=C(C=C1)N/N=C(\C(F)(F)F)/Br
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Product OPENEYE NAME: (1E)-2,2,2-trifluoro-N-(p-tolyl)ethanehydrazonoyl bromide
CAS Name: (1E)-2,2,2-trifluoro-N-(4-methylphenyl)ethanehydrazonoyl bromide
IUPAC NAME: (1E)-2,2,2-trifluoro-N-(4-methylphenyl)ethanehydrazonoyl bromide
SYSTEMATIC NAME: (1E)-2,2,2-tris(fluoranyl)-N-(4-methylphenyl)ethanehydrazonoyl bromide
MOLECULAR FORMULA: C9H8BrF3N2
MOLECULAR WEIGHT: 281.07243
SMILES: CC1=CC=C(C=C1)N/N=C(\C(F)(F)F)/Br
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Product OPENEYE NAME: (1E)-N-(4-bromophenyl)-2,2,2-trifluoro-ethanehydrazonoyl bromide
CAS Name: (1E)-N-(4-bromophenyl)-2,2,2-trifluoroethanehydrazonoyl bromide
IUPAC NAME: (1E)-N-(4-bromophenyl)-2,2,2-trifluoroethanehydrazonoyl bromide
SYSTEMATIC NAME: (1E)-N-(4-bromophenyl)-2,2,2-tris(fluoranyl)ethanehydrazonoyl bromide
MOLECULAR FORMULA: C8H5Br2F3N2
MOLECULAR WEIGHT: 345.94191
SMILES: C1=CC(=CC=C1N/N=C(\C(F)(F)F)/Br)Br
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Product OPENEYE NAME: dimethyl (3S,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate
CAS Name: (3S,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl (3S,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate
SYSTEMATIC NAME: dimethyl (3S,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate
MOLECULAR FORMULA: C14H13F3N2O4
MOLECULAR WEIGHT: 330.25923
SMILES: COC(=O)[C@@H]1[C@H](N(N=C1C(F)(F)F)C2=CC=CC=C2)C(=O)OC
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Product OPENEYE NAME: dimethyl (3S,4R)-2-(p-tolyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate
CAS Name: (3S,4R)-2-(4-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl (3S,4R)-2-(4-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate
SYSTEMATIC NAME: dimethyl (3S,4R)-2-(4-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate
MOLECULAR FORMULA: C15H15F3N2O4
MOLECULAR WEIGHT: 344.28581
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@H](C(=N2)C(F)(F)F)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: dimethyl (3S,4R)-2-(4-bromophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate
CAS Name: (3S,4R)-2-(4-bromophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl (3S,4R)-2-(4-bromophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate
SYSTEMATIC NAME: dimethyl (3S,4R)-2-(4-bromophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate
MOLECULAR FORMULA: C14H12BrF3N2O4
MOLECULAR WEIGHT: 409.15529
SMILES: COC(=O)[C@@H]1[C@H](N(N=C1C(F)(F)F)C2=CC=C(C=C2)Br)C(=O)OC
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Product OPENEYE NAME: (1E)-2,2,2-trifluoro-N-phenyl-ethanehydrazonoyl chloride
CAS Name: (1E)-2,2,2-trifluoro-N-phenylethanehydrazonoyl chloride
IUPAC NAME: (1E)-2,2,2-trifluoro-N-phenylethanehydrazonoyl chloride
SYSTEMATIC NAME: (1E)-2,2,2-tris(fluoranyl)-N-phenyl-ethanehydrazonoyl chloride
MOLECULAR FORMULA: C8H6ClF3N2
MOLECULAR WEIGHT: 222.59485
SMILES: C1=CC=C(C=C1)N/N=C(\C(F)(F)F)/Cl
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Product OPENEYE NAME: (3E)-3-[amino(hydroxy)methylene]isoquinoline-1,4-dione
CAS Name: (3E)-3-[amino(hydroxy)methylidene]isoquinoline-1,4-dione
IUPAC NAME: (3E)-3-[amino(hydroxy)methylidene]isoquinoline-1,4-dione
SYSTEMATIC NAME: (3E)-3-[azanyl(oxidanyl)methylidene]isoquinoline-1,4-dione
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: C1=CC=C2C(=C1)C(=O)/C(=C(/N)\O)/NC2=O
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Product OPENEYE NAME: (2R,3S)-2,4,4-trimethoxy-2-phenyl-3H-benzo[h]chromen-3-ol
CAS Name: (2R,3S)-2,4,4-trimethoxy-2-phenyl-3H-benzo[h][1]benzopyran-3-ol
IUPAC NAME: (2R,3S)-2,4,4-trimethoxy-2-phenyl-3H-benzo[h]chromen-3-ol
SYSTEMATIC NAME: (2R,3S)-2,4,4-trimethoxy-2-phenyl-3H-benzo[h]chromen-3-ol
MOLECULAR FORMULA: C22H22O5
MOLECULAR WEIGHT: 366.40708
SMILES: CO[C@]1([C@H](C(C2=C(O1)C3=CC=CC=C3C=C2)(OC)OC)O)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl (9E)-9-[[[(Z)-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]methylene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
CAS Name: (9E)-9-[[[(Z)-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (9E)-9-[[[(Z)-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]methylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
SYSTEMATIC NAME: ethyl (9E)-9-[[[(Z)-(3-ethoxycarbonyl-6-methyl-4-oxidanylidene-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]methylidene]-6-methyl-4-oxidanylidene-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
MOLECULAR FORMULA: C26H31N5O6
MOLECULAR WEIGHT: 509.55424
SMILES: CCOC(=O)C1=CN=C2/C(=C/N/C=C\3/CCC(N4C3=NC=C(C4=O)C(=O)OCC)C)/CCC(N2C1=O)C
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