Chem
J-GLOBAL ID：200907084349167254   Nikkaji number：J1.141.366H

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-[(7,8-dihydro-1,3-dioxolo[4,5-g]isoquinoline)-6(5H)-yl]heptanenitrile

2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-7-[(7,8-ジヒドロ-1,3-ジオキソロ[4,5-g]イソキノリン)-6(5H)-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： C32H36N2O4S
Molecular formula furigana： C32-H36-N2-O4-S
Molecular weight： 544.710
InChI： InChI=1S/C32H36N2O4S/c1-23-7-10-27(11-8-23)39-32(21-33,26-9-12-28(35-2)29(19-26)36-3)14-5-4-6-15-34-16-13-24-17-30-31(38-22-37-30)18-25(24)20-34/h7-12,17-19H,4-6,13-16,20,22H2,1-3H3
InChI key： KZQQOVXXYYQZAR-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCN1CCc2cc3OCOc3cc2C1)(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-[(7,8-ジヒドロ-1,3-ジオキソロ[4,5-g]イソキノリン)-6(5H)-イル]ヘプタンニトリル
  • 2-(3,4-ジメトキシフェニル)-7-{2H,5H,6H,7H,8H-[1,3]ジオキソロ[4,5-g]イソキノリン-6-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-{2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl}-2-[(4-methylphenyl)sulfanyl]heptanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-[(7,8-dihydro-1,3-dioxolo[4,5-g]isoquinoline)-6(5H)-yl]heptanenitrile
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