Chem
J-GLOBAL ID：200907012720301847   Nikkaji number：J1.141.383H

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-[[6-methoxy-7-[2-(dimethylamino)ethoxy]-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-7-[2-(ジメチルアミノ)エトキシ]-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： C36H47N3O4S
Molecular formula furigana： C36-H47-N3-O4-S
Molecular weight： 617.850
InChI： InChI=1S/C36H47N3O4S/c1-27-10-13-31(14-11-27)44-36(26-37,30-12-15-32(40-4)34(24-30)42-6)17-8-7-9-18-39-19-16-28-22-33(41-5)35(23-29(28)25-39)43-21-20-38(2)3/h10-15,22-24H,7-9,16-21,25H2,1-6H3
InChI key： PVITUUCIOROYKQ-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCN1CCc2cc(OC)c(OCCN(C)C)cc2C1)(Sc1ccc(C)cc1)C#N
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-7-[2-(ジメチルアミノ)エトキシ]-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-{7-[2-(ジメチルアミノ)エトキシ]-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-{7-[2-(dimethylamino)ethoxy]-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-7-[2-(dimethylamino)ethoxy]-3,4-dihydroisoquinoline]-2(1H)-yl]heptanenitrile
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