Wednesday, July 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (4R)-4-[(S)-hydroxy(p-tolyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-hydroxy-(4-methylphenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-hydroxy-(4-methylphenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-3-methyl-4-[(S)-(4-methylphenyl)-oxidanyl-methyl]-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C13H16N2O2
MOLECULAR WEIGHT: 232.27834
SMILES: CC1=CC=C(C=C1)[C@H]([C@@H]2CC(=O)NN=C2C)O
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Product OPENEYE NAME: (4R)-4-[(S)-hydroxy-(4-methoxyphenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-hydroxy-(4-methoxyphenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-hydroxy-(4-methoxyphenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(S)-(4-methoxyphenyl)-oxidanyl-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C13H16N2O3
MOLECULAR WEIGHT: 248.27774
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC=C(C=C2)OC)O
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Product OPENEYE NAME: (4R)-4-[(S)-(2,6-dichlorophenyl)-hydroxy-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-(2,6-dichlorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-(2,6-dichlorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(S)-[2,6-bis(chloranyl)phenyl]-oxidanyl-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H12Cl2N2O2
MOLECULAR WEIGHT: 287.14188
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=C(C=CC=C2Cl)Cl)O
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Product OPENEYE NAME: (4R)-4-[(S)-(2-chloro-6-fluoro-phenyl)-hydroxy-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(S)-(2-chloranyl-6-fluoranyl-phenyl)-oxidanyl-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H12ClFN2O2
MOLECULAR WEIGHT: 270.687283
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=C(C=CC=C2Cl)F)O
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Product OPENEYE NAME: (4R)-4-[(S)-(3,4-dimethoxyphenyl)-hydroxy-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-(3,4-dimethoxyphenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-(3,4-dimethoxyphenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(S)-(3,4-dimethoxyphenyl)-oxidanyl-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C14H18N2O4
MOLECULAR WEIGHT: 278.30372
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC(=C(C=C2)OC)OC)O
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Product OPENEYE NAME: (4R)-4-[(S)-1,3-benzodioxol-5-yl(hydroxy)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-1,3-benzodioxol-5-yl(hydroxy)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-1,3-benzodioxol-5-yl(hydroxy)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(S)-1,3-benzodioxol-5-yl(oxidanyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C13H14N2O4
MOLECULAR WEIGHT: 262.26126
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC3=C(C=C2)OCO3)O
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Product OPENEYE NAME: (4R)-4-[(S)-hydroxy-(2,4,5-trimethoxyphenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-hydroxy-(2,4,5-trimethoxyphenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-hydroxy-(2,4,5-trimethoxyphenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-3-methyl-4-[(S)-oxidanyl-(2,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C15H20N2O5
MOLECULAR WEIGHT: 308.3297
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC(=C(C=C2OC)OC)OC)O
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Product OPENEYE NAME: (4R)-4-[(S)-hydroxy(2-thienyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-hydroxy(thiophen-2-yl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-hydroxy(thiophen-2-yl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-3-methyl-4-[(S)-oxidanyl(thiophen-2-yl)methyl]-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C10H12N2O2S
MOLECULAR WEIGHT: 224.27948
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC=CS2)O
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Product OPENEYE NAME: (4R)-4-[(S)-2-furyl(hydroxy)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-2-furanyl(hydroxy)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-furan-2-yl(hydroxy)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(S)-furan-2-yl(oxidanyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC=CO2)O
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Product OPENEYE NAME: (4R)-4-[(R)-cyclohexyl(hydroxy)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(R)-cyclohexyl(hydroxy)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(R)-cyclohexyl(hydroxy)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(R)-cyclohexyl(oxidanyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H20N2O2
MOLECULAR WEIGHT: 224.2994
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2CCCCC2)O
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Product OPENEYE NAME: 2-bromo-1-(2-hydroxy-6-methoxy-phenyl)ethanone
CAS Name: 2-bromo-1-(2-hydroxy-6-methoxyphenyl)ethanone
IUPAC NAME: 2-bromo-1-(2-hydroxy-6-methoxyphenyl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(2-methoxy-6-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C9H9BrO3
MOLECULAR WEIGHT: 245.06996
SMILES: COC1=CC=CC(=C1C(=O)CBr)O
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Product OPENEYE NAME: 2-bromo-1-(3,5-dibromo-2,4-dihydroxy-phenyl)ethanone
CAS Name: 2-bromo-1-(3,5-dibromo-2,4-dihydroxyphenyl)ethanone
IUPAC NAME: 2-bromo-1-(3,5-dibromo-2,4-dihydroxyphenyl)ethanone
SYSTEMATIC NAME: 1-[3,5-bis(bromanyl)-2,4-bis(oxidanyl)phenyl]-2-bromanyl-ethanone
MOLECULAR FORMULA: C8H5Br3O3
MOLECULAR WEIGHT: 388.8355
SMILES: C1=C(C(=C(C(=C1Br)O)Br)O)C(=O)CBr
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Product OPENEYE NAME: 3-(hydroxymethyl)-3-imidazol-1-yl-chroman-4-one
CAS Name: 3-(hydroxymethyl)-3-(1-imidazolyl)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 3-(hydroxymethyl)-3-imidazol-1-yl-2H-chromen-4-one
SYSTEMATIC NAME: 3-(hydroxymethyl)-3-imidazol-1-yl-2H-chromen-4-one
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: C1C(C(=O)C2=CC=CC=C2O1)(CO)N3C=CN=C3
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Product OPENEYE NAME: 3-(hydroxymethyl)-3-imidazol-1-yl-6-methyl-chroman-4-one
CAS Name: 3-(hydroxymethyl)-3-(1-imidazolyl)-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 3-(hydroxymethyl)-3-imidazol-1-yl-6-methyl-2H-chromen-4-one
SYSTEMATIC NAME: 3-(hydroxymethyl)-3-imidazol-1-yl-6-methyl-2H-chromen-4-one
MOLECULAR FORMULA: C14H14N2O3
MOLECULAR WEIGHT: 258.27256
SMILES: CC1=CC2=C(C=C1)OCC(C2=O)(CO)N3C=CN=C3
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Product OPENEYE NAME: 3-(hydroxymethyl)-3-(2-methylimidazol-1-yl)chroman-4-one
CAS Name: 3-(hydroxymethyl)-3-(2-methyl-1-imidazolyl)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 3-(hydroxymethyl)-3-(2-methylimidazol-1-yl)-2H-chromen-4-one
SYSTEMATIC NAME: 3-(hydroxymethyl)-3-(2-methylimidazol-1-yl)-2H-chromen-4-one
MOLECULAR FORMULA: C14H14N2O3
MOLECULAR WEIGHT: 258.27256
SMILES: CC1=NC=CN1C2(COC3=CC=CC=C3C2=O)CO
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Product OPENEYE NAME: 6-chloro-3-(hydroxymethyl)-3-(2-methylimidazol-1-yl)chroman-4-one
CAS Name: 6-chloro-3-(hydroxymethyl)-3-(2-methyl-1-imidazolyl)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 6-chloro-3-(hydroxymethyl)-3-(2-methylimidazol-1-yl)-2H-chromen-4-one
SYSTEMATIC NAME: 6-chloranyl-3-(hydroxymethyl)-3-(2-methylimidazol-1-yl)-2H-chromen-4-one
MOLECULAR FORMULA: C14H13ClN2O3
MOLECULAR WEIGHT: 292.71762
SMILES: CC1=NC=CN1C2(COC3=C(C2=O)C=C(C=C3)Cl)CO
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Product OPENEYE NAME: (2S,3E,4R)-3-benzylidene-1,7,7-trimethyl-norbornan-2-ol
CAS Name: (1R,2E,3S)-4,7,7-trimethyl-2-(phenylmethylene)-3-bicyclo[2.2.1]heptanol
IUPAC NAME: (1R,2E,3S)-2-benzylidene-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
SYSTEMATIC NAME: (1R,2E,3S)-4,7,7-trimethyl-2-(phenylmethylidene)bicyclo[2.2.1]heptan-3-ol
MOLECULAR FORMULA: C17H22O
MOLECULAR WEIGHT: 242.35598
SMILES: CC1([C@H]\2CCC1([C@H](/C2=C/C3=CC=CC=C3)O)C)C
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Product OPENEYE NAME: (2R,3S,4R)-1,7,7-trimethyl-3'-phenyl-spiro[norbornane-3,2'-oxirane]-2-ol
CAS Name: (1R,2S,3R)-4,7,7-trimethyl-3'-phenyl-3-spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]ol
IUPAC NAME: (1R,2S,3R)-4,7,7-trimethyl-3'-phenylspiro[bicyclo[2.2.1]heptane-2,2'-oxirane]-3-ol
SYSTEMATIC NAME: (1R,2S,3R)-4,7,7-trimethyl-3'-phenyl-spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]-3-ol
MOLECULAR FORMULA: C17H22O2
MOLECULAR WEIGHT: 258.35538
SMILES: CC1([C@H]2CCC1([C@H]([C@]23C(O3)C4=CC=CC=C4)O)C)C
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Product OPENEYE NAME: (2R,3S,4R)-3-benzyl-1,7,7-trimethyl-norbornane-2,3-diol
CAS Name: (1R,2S,3R)-4,7,7-trimethyl-2-(phenylmethyl)bicyclo[2.2.1]heptane-2,3-diol
IUPAC NAME: (1R,2S,3R)-2-benzyl-4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
SYSTEMATIC NAME: (1R,2S,3R)-4,7,7-trimethyl-2-(phenylmethyl)bicyclo[2.2.1]heptane-2,3-diol
MOLECULAR FORMULA: C17H24O2
MOLECULAR WEIGHT: 260.37126
SMILES: CC1([C@H]2CCC1([C@H]([C@@]2(CC3=CC=CC=C3)O)O)C)C
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Product OPENEYE NAME: [(2R,3R,4R)-1,7,7-trimethyl-3'-phenyl-spiro[norbornane-3,2'-oxirane]-2-yl] acetate
CAS Name: acetic acid [(1R,2R,3R)-4,7,7-trimethyl-3'-phenyl-3-spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]yl] ester
IUPAC NAME: [(1R,2R,3R)-4,7,7-trimethyl-3'-phenylspiro[bicyclo[2.2.1]heptane-2,2'-oxirane]-3-yl] acetate
SYSTEMATIC NAME: [(1R,2R,3R)-4,7,7-trimethyl-3'-phenyl-spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]-3-yl] ethanoate
MOLECULAR FORMULA: C19H24O3
MOLECULAR WEIGHT: 300.39206
SMILES: CC(=O)O[C@H]1[C@@]2([C@@H]3CCC1(C3(C)C)C)C(O2)C4=CC=CC=C4
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Product OPENEYE NAME: (2R,3R,4R)-1,7,7-trimethyl-3'-phenyl-spiro[norbornane-3,2'-oxirane]-2-ol
CAS Name: (1R,2R,3R)-4,7,7-trimethyl-3'-phenyl-3-spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]ol
IUPAC NAME: (1R,2R,3R)-4,7,7-trimethyl-3'-phenylspiro[bicyclo[2.2.1]heptane-2,2'-oxirane]-3-ol
SYSTEMATIC NAME: (1R,2R,3R)-4,7,7-trimethyl-3'-phenyl-spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]-3-ol
MOLECULAR FORMULA: C17H22O2
MOLECULAR WEIGHT: 258.35538
SMILES: CC1([C@H]2CCC1([C@H]([C@@]23C(O3)C4=CC=CC=C4)O)C)C
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