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

Systemtic Name: 4-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]benzenecarbonitrile Openeye Name: 4-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]benzonitrile CAS Name: 4-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]benzonitrile IUPAC Name: 4-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]benzonitrile Traditional Name: 4-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]benzonitrile Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC3=CC(=CC=C3)OC4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC3=CC(=CC=C3)OC4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C25H24N2O3/c1-28-24-13-20-10-11-27(17-21(20)14-25(24)29-2)16-19-4-3-5-23(12-19)30-22-8-6-18(15-26)7-9-22/h3-9,12-14H,10-11,16-17H2,1-2H3