5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-methylphenyl)-2-propan-2-yl-pentanenitrile hydrochloride

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-methylphenyl)-2-propan-2-yl-pentanenitrile hydrochloride Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-isopropyl-2-(o-tolyl)pentanenitrile hydrochloride CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile hydrochloride IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile hydrochloride Traditional Name: 5-(homoveratrylamino)-2-isopropyl-2-(o-tolyl)valeronitrile hydrochloride Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCNCCC2=CC(=C(C=C2)OC)OC)(C#N)C(C)C.Cl

Isomeric SMILES

CC1=CC=CC=C1C(CCCNCCC2=CC(=C(C=C2)OC)OC)(C#N)C(C)C.Cl

InChI

InChI=1S/C25H34N2O2.ClH/c1-19(2)25(18-26,22-10-7-6-9-20(22)3)14-8-15-27-16-13-21-11-12-23(28-4)24(17-21)29-5;/h6-7,9-12,17,19,27H,8,13-16H2,1-5H3;1H