Chem
J-GLOBAL ID：200907016835308689   Nikkaji number：J1.429.591G

2-[3-(2-Bromo-4,5-dimethoxyphenyl)propyl]isoquinoline-1(2H)-one

2-[3-(2-ブロモ-4,5-ジメトキシフェニル)プロピル]イソキノリン-1(2H)-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： C20H20BrNO3
Molecular formula furigana： C20-H20-BR-N-O3
Molecular weight： 402.288
InChI： InChI=1S/C20H20BrNO3/c1-24-18-12-15(17(21)13-19(18)25-2)7-5-10-22-11-9-14-6-3-4-8-16(14)20(22)23/h3-4,6,8-9,11-13H,5,7,10H2,1-2H3
InChI key： JUZTUPIFHVQZKL-UHFFFAOYSA-N
SMILES： COc1cc(Br)c(CCCn2ccc3ccccc3c2=O)cc1OC
Systematic name  (3)：
  • 2-[3-(2-ブロモ-4,5-ジメトキシフェニル)プロピル]イソキノリン-1(2H)-オン
  • 2-[3-(2-ブロモ-4,5-ジメトキシフェニル)プロピル]-1,2-ジヒドロイソキノリン-1-オン
  • 2-[3-(2-bromo-4,5-dimethoxyphenyl)propyl]-1,2-dihydroisoquinolin-1-one
Other name (1)：
  • 2-[3-(2-Bromo-4,5-dimethoxyphenyl)propyl]isoquinoline-1(2H)-one
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