2-cyclohexylsulfanyl-7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile hydrochloride

Systemtic Name: 2-cyclohexylsulfanyl-7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile hydrochloride Openeye Name: 2-cyclohexylsulfanyl-7-(5,6-dimethoxyisoindolin-2-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile hydrochloride CAS Name: 2-(cyclohexylthio)-7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile hydrochloride IUPAC Name: 2-cyclohexylsulfanyl-7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile hydrochloride Traditional Name: 2-(cyclohexylthio)-7-(5,6-dimethoxyisoindolin-2-yl)-2-(3,4-dimethoxyphenyl)enanthonitrile hydrochloride Formula: C31H43ClN2O4S MolecularWeight: 575.20212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCCN2CC3=CC(=C(C=C3C2)OC)OC)(C#N)SC4CCCCC4)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCCN2CC3=CC(=C(C=C3C2)OC)OC)(C#N)SC4CCCCC4)OC.Cl

InChI

InChI=1S/C31H42N2O4S.ClH/c1-34-27-14-13-25(19-30(27)37-4)31(22-32,38-26-11-7-5-8-12-26)15-9-6-10-16-33-20-23-17-28(35-2)29(36-3)18-24(23)21-33;/h13-14,17-19,26H,5-12,15-16,20-21H2,1-4H3;1H