1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(phenylmethyl)isoquinolin-3-one hydrochloride

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(phenylmethyl)isoquinolin-3-one hydrochloride Openeye Name: 2-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-3-one hydrochloride CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(phenylmethyl)-3-isoquinolinone hydrochloride IUPAC Name: 2-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-3-one hydrochloride Traditional Name: 2-benzyl-6,7-dimethoxy-1-veratryl-3-isoquinolone hydrochloride Formula: C27H28ClNO5 MolecularWeight: 481.96792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)N2CC4=CC=CC=C4)OC)OC)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)N2CC4=CC=CC=C4)OC)OC)OC.Cl

InChI

InChI=1S/C27H27NO5.ClH/c1-30-23-11-10-19(13-24(23)31-2)12-22-21-16-26(33-4)25(32-3)14-20(21)15-27(29)28(22)17-18-8-6-5-7-9-18;/h5-11,13-16H,12,17H2,1-4H3;1H