Chem
J-GLOBAL ID：200907003618034398   Nikkaji number：J1.141.372B

1-[3-[2-(1H-Imidazole-1-yl)ethoxy]-4-methoxyphenyl]-1-(p-tolylthio)-7-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]heptane

1-[3-[2-(1H-イミダゾール-1-イル)エトキシ]-4-メトキシフェニル]-1-(p-トリルチオ)-7-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ヘプタン
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： C37H47N3O4S
Molecular formula furigana： C37-H47-N3-O4-S
Molecular weight： 629.860
InChI： InChI=1S/C37H47N3O4S/c1-28-10-13-32(14-11-28)45-37(30-12-15-33(41-2)36(24-30)44-22-21-40-20-17-38-27-40)9-7-5-6-8-18-39-19-16-29-23-34(42-3)35(43-4)25-31(29)26-39/h10-15,17,20,23-25,27,37H,5-9,16,18-19,21-22,26H2,1-4H3
InChI key： CNORTMXIZFGKGH-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OCCn1ccnc1)C(CCCCCCN1CCc2cc(OC)c(OC)cc2C1)Sc1ccc(C)cc1
Systematic name  (3)：
  • 1-[3-[2-(1H-イミダゾール-1-イル)エトキシ]-4-メトキシフェニル]-1-(p-トリルチオ)-7-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ヘプタン
  • 2-(7-{3-[2-(1H-イミダゾール-1-イル)エトキシ]-4-メトキシフェニル}-7-[(4-メチルフェニル)スルファニル]ヘプチル)-6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン
  • 2-(7-{3-[2-(1H-imidazol-1-yl)ethoxy]-4-methoxyphenyl}-7-[(4-methylphenyl)sulfanyl]heptyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Other name (1)：
  • 1-[3-[2-(1H-Imidazole-1-yl)ethoxy]-4-methoxyphenyl]-1-(p-tolylthio)-7-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]heptane
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