Chem
J-GLOBAL ID：201207070275160907   Nikkaji number：J3.009.283J

3-Benzylidene-5-(5-hexynoyloxymethoxy)-6-(5-tert-butyl-1H-imidazole-4-ylmethylene)-1,2,3,6-tetrahydropyrazine-2-one

3-ベンジリデン-5-(5-ヘキシノイルオキシメトキシ)-6-(5-tert-ブチル-1H-イミダゾール-4-イルメチレン)-1,2,3,6-テトラヒドロピラジン-2-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H28N4O4
Molecular formula furigana： C26-H28-N4-O4
Molecular weight： 460.534
InChI： InChI=1S/C26H28N4O4/c1-5-6-8-13-22(31)33-17-34-25-21(15-19-23(26(2,3)4)28-16-27-19)29-24(32)20(30-25)14-18-11-9-7-10-12-18/h1,7,9-12,14-16H,6,8,13,17H2,2-4H3,(H,27,28)(H,29,32)
InChI key： DKQHRDZHSFHENQ-UHFFFAOYSA-N
SMILES： CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2)nc1OCOC(=O)CCCC#C
Systematic name  (4)：
  • 3-ベンジリデン-5-(5-ヘキシノイルオキシメトキシ)-6-(5-tert-ブチル-1H-イミダゾール-4-イルメチレン)-1,2,3,6-テトラヒドロピラジン-2-オン
  • 5-ヘキシン酸[2-[(5-tert-ブチル-1H-イミダゾール-4-イル)メチレン]-5-ベンジリデン-6-オキソ-1,2,5,6-テトラヒドロピラジン-3-イルオキシ]メチル
  • ({3-[(5-tert-ブチル-1H-イミダゾール-4-イル)メチリデン]-5-オキソ-6-(フェニルメチリデン)-3,4,5,6-テトラヒドロピラジン-2-イル}オキシ)メチル ヘキサ-5-イノアート
  • ({3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-5-oxo-6-(phenylmethylidene)-3,4,5,6-tetrahydropyrazin-2-yl}oxy)methyl hex-5-ynoate
Other name (2)：
  • 3-Benzylidene-5-(5-hexynoyloxymethoxy)-6-(5-tert-butyl-1H-imidazole-4-ylmethylene)-1,2,3,6-tetrahydropyrazine-2-one
  • 5-Hexynoic acid [2-[(5-tert-butyl-1H-imidazole-4-yl)methylene]-5-benzylidene-6-oxo-1,2,5,6-tetrahydropyrazine-3-yloxy]methyl ester
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