Chem
J-GLOBAL ID：201707013582752599   Nikkaji number：J3.622.238G

1-Methyl-2-(4-(1,3-benzodioxole-5-yl)butyl)quinoline-4(1H)-one

1-メチル-2-(4-(1,3-ベンゾジオキソール-5-イル)ブチル)キノリン-4(1H)-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： C21H21NO3
Molecular formula furigana： C21-H21-N-O3
Molecular weight： 335.403
InChI： InChI=1S/C21H21NO3/c1-22-16(13-19(23)17-8-4-5-9-18(17)22)7-3-2-6-15-10-11-20-21(12-15)25-14-24-20/h4-5,8-13H,2-3,6-7,14H2,1H3
InChI key： YLQYDWWFOCYJQE-UHFFFAOYSA-N
SMILES： Cn1c(CCCCc2ccc3OCOc3c2)cc(=O)c2ccccc12
Systematic name  (3)：
  • 1-メチル-2-(4-(1,3-ベンゾジオキソール-5-イル)ブチル)キノリン-4(1H)-オン
  • 2-[4-(2H-1,3-ベンゾジオキソール-5-イル)ブチル]-1-メチル-1,4-ジヒドロキノリン-4-オン
  • 2-[4-(2H-1,3-benzodioxol-5-yl)butyl]-1-methyl-1,4-dihydroquinolin-4-one
Other name (1)：
  • 1-Methyl-2-(4-(1,3-benzodioxole-5-yl)butyl)quinoline-4(1H)-one
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