2-[[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]methyl]benzonitrile Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4C#N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4C#N)OC

InChI

InChI=1S/C26H24N2O4/c1-30-24-13-19-11-12-28(16-22(19)14-25(24)31-2)26(29)18-7-9-23(10-8-18)32-17-21-6-4-3-5-20(21)15-27/h3-10,13-14H,11-12,16-17H2,1-2H3