Chem
J-GLOBAL ID：200907013305039513   Nikkaji number：J1.141.380C

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-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-(p-トリルチオ)-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： C37H44N4O4S
Molecular formula furigana： C37-H44-N4-O4-S
Molecular weight： 640.840
InChI： InChI=1S/C37H44N4O4S/c1-28-8-11-32(12-9-28)46-37(26-38,31-10-13-33(42-2)35(24-31)44-4)15-6-5-7-17-40-18-14-29-22-34(43-3)36(23-30(29)25-40)45-21-20-41-19-16-39-27-41/h8-13,16,19,22-24,27H,5-7,14-15,17-18,20-21,25H2,1-4H3
InChI key： OIGKAIXDCSOHFN-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCN1CCc2cc(OC)c(OCCn3ccnc3)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-(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-(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}-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-(1H-imidazol-1-yl)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-(1H-imidazole-1-yl)ethoxy]-3,4-dihydroisoquinoline]-2(1H)-yl]heptanenitrile
Thsaurus map：
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