Chem
J-GLOBAL ID：200907018479068298   Nikkaji number：J1.141.367F

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-[(6-methoxy-3,4-dihydroisoquinoline)-2(1H)-yl]heptanenitrile

2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-7-[(6-メトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ヘプタンニトリル
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： C32H38N2O3S
Molecular formula furigana： C32-H38-N2-O3-S
Molecular weight： 530.730
InChI： InChI=1S/C32H38N2O3S/c1-24-8-13-29(14-9-24)38-32(23-33,27-11-15-30(36-3)31(21-27)37-4)17-6-5-7-18-34-19-16-25-20-28(35-2)12-10-26(25)22-34/h8-15,20-21H,5-7,16-19,22H2,1-4H3
InChI key： BXWPPPDTLKICES-UHFFFAOYSA-N
SMILES： COc1ccc2CN(CCCCCC(Sc3ccc(C)cc3)(C#N)c3ccc(OC)c(OC)c3)CCc2c1
Systematic name  (3)：
  • 2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-7-[(6-メトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ヘプタンニトリル
  • 2-(3,4-ジメトキシフェニル)-7-(6-メトキシ-1,2,3,4-テトラヒドロイソキノリン-2-イル)-2-[(4-メチルフェニル)スルファニル]ヘプタンニトリル
  • 2-(3,4-dimethoxyphenyl)-7-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-[(4-methylphenyl)sulfanyl]heptanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-[(6-methoxy-3,4-dihydroisoquinoline)-2(1H)-yl]heptanenitrile
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