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

Systemtic Name: N'-[6,7-dimethoxy-1-(phenylmethyl)isoquinolin-3-yl]-2-phenyl-ethanimidamide Openeye Name: N'-(1-benzyl-6,7-dimethoxy-3-isoquinolyl)-2-phenyl-acetamidine CAS Name: N'-[6,7-dimethoxy-1-(phenylmethyl)-3-isoquinolinyl]-2-phenylethanimidamide IUPAC Name: N'-(1-benzyl-6,7-dimethoxyisoquinolin-3-yl)-2-phenylethanimidamide Traditional Name: N'-(1-benzyl-6,7-dimethoxy-3-isoquinolyl)-2-phenyl-acetamidine Formula: C26H25N3O2 MolecularWeight: 411.4956

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2/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)