N'-[6,7-dimethoxy-1-(phenylmethyl)isoquinolin-3-yl]-2-phenyl-ethanimidamide hydrochloride

Systemtic Name: N'-[6,7-dimethoxy-1-(phenylmethyl)isoquinolin-3-yl]-2-phenyl-ethanimidamide hydrochloride Openeye Name: N'-(1-benzyl-6,7-dimethoxy-3-isoquinolyl)-2-phenyl-acetamidine hydrochloride CAS Name: N'-[6,7-dimethoxy-1-(phenylmethyl)-3-isoquinolinyl]-2-phenylethanimidamide hydrochloride IUPAC Name: N'-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)-2-phenylethanimidamide hydrochloride Traditional Name: N'-(1-benzyl-6,7-dimethoxy-3-isoquinolyl)-2-phenyl-acetamidine hydrochloride Formula: C26H26ClN3O2 MolecularWeight: 447.95654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(N=C2CC3=CC=CC=C3)N=C(CC4=CC=CC=C4)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(N=C2CC3=CC=CC=C3)/N=C(/CC4=CC=CC=C4)\N)OC.Cl

InChI

InChI=1S/C26H25N3O2.ClH/c1-30-23-15-20-16-26(29-25(27)14-19-11-7-4-8-12-19)28-22(21(20)17-24(23)31-2)13-18-9-5-3-6-10-18;/h3-12,15-17H,13-14H2,1-2H3,(H2,27,28,29);1H