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

Systemtic Name: 2-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-3-one hydrochloride Openeye Name: 2-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-3-one hydrochloride CAS Name: 2-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-isoquinolinone hydrochloride IUPAC Name: 2-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-3-one hydrochloride Traditional Name: 2-cyclopropyl-6,7-dimethoxy-1-veratryl-3-isoquinolone hydrochloride Formula: C23H26ClNO5 MolecularWeight: 431.90924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)N2C4CC4)OC)OC)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)N2C4CC4)OC)OC)OC.Cl

InChI

InChI=1S/C23H25NO5.ClH/c1-26-19-8-5-14(10-20(19)27-2)9-18-17-13-22(29-4)21(28-3)11-15(17)12-23(25)24(18)16-6-7-16;/h5,8,10-13,16H,6-7,9H2,1-4H3;1H