Chem
J-GLOBAL ID：200907023682131381   Nikkaji number：J1.141.382J

2-(3,4-Dimethoxyphenyl)-2-(cyclohexylthio)-7-[[6-methoxy-7-[2-(1H-imidazole-1-yl)ethoxy]-3,4-dihydroisoquinoline]-2(1H)-yl]heptanenitrile

2-(3,4-ジメトキシフェニル)-2-(シクロヘキシルチオ)-7-[[6-メトキシ-7-[2-(1H-イミダゾール-1-イル)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： C36H48N4O4S
Molecular formula furigana： C36-H48-N4-O4-S
Molecular weight： 632.860
InChI： InChI=1S/C36H48N4O4S/c1-41-32-13-12-30(24-34(32)43-3)36(26-37,45-31-10-6-4-7-11-31)15-8-5-9-17-39-18-14-28-22-33(42-2)35(23-29(28)25-39)44-21-20-40-19-16-38-27-40/h12-13,16,19,22-24,27,31H,4-11,14-15,17-18,20-21,25H2,1-3H3
InChI key： JYVYPARRHJQKSC-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCN1CCc2cc(OC)c(OCCn3ccnc3)cc2C1)(SC1CCCCC1)C#N
Systematic name  (3)：
  • 2-(3,4-ジメトキシフェニル)-2-(シクロヘキシルチオ)-7-[[6-メトキシ-7-[2-(1H-イミダゾール-1-イル)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-(シクロヘキシルスルファニル)-2-(3,4-ジメトキシフェニル)-7-{7-[2-(1H-イミダゾール-1-イル)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}ヘプタンニトリル
  • 2-(cyclohexylsulfanyl)-2-(3,4-dimethoxyphenyl)-7-{7-[2-(1H-imidazol-1-yl)ethoxy]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}heptanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(cyclohexylthio)-7-[[6-methoxy-7-[2-(1H-imidazole-1-yl)ethoxy]-3,4-dihydroisoquinoline]-2(1H)-yl]heptanenitrile
Thsaurus map：
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