Chem
J-GLOBAL ID：200907050934505279   Nikkaji number：J1.141.381A

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-[5-methoxy-6-[2-(1H-imidazole-1-yl)ethoxy]isoindoline-2-yl]heptanenitrile

2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-7-[5-メトキシ-6-[2-(1H-イミダゾール-1-イル)エトキシ]イソインドリン-2-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： C36H42N4O4S
Molecular formula furigana： C36-H42-N4-O4-S
Molecular weight： 626.820
InChI： InChI=1S/C36H42N4O4S/c1-27-8-11-31(12-9-27)45-36(25-37,30-10-13-32(41-2)34(22-30)43-4)14-6-5-7-16-40-23-28-20-33(42-3)35(21-29(28)24-40)44-19-18-39-17-15-38-26-39/h8-13,15,17,20-22,26H,5-7,14,16,18-19,23-24H2,1-4H3
InChI key： KFPYSCPYPALCDC-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCN1Cc2cc(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-[5-メトキシ-6-[2-(1H-イミダゾール-1-イル)エトキシ]イソインドリン-2-イル]ヘプタンニトリル
  • 2-(3,4-ジメトキシフェニル)-7-{5-[2-(1H-イミダゾール-1-イル)エトキシ]-6-メトキシ-2,3-ジヒドロ-1H-イソインドール-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-{5-[2-(1H-imidazol-1-yl)ethoxy]-6-methoxy-2,3-dihydro-1H-isoindol-2-yl}-2-[(4-methylphenyl)sulfanyl]heptanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-[5-methoxy-6-[2-(1H-imidazole-1-yl)ethoxy]isoindoline-2-yl]heptanenitrile
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