2-(2-hept-6-ynyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)ethanenitrile

Systemtic Name: 2-(2-hept-6-ynyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)ethanenitrile Openeye Name: 2-(2-hept-6-ynyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile CAS Name: 2-(2-hept-6-ynyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile IUPAC Name: 2-(2-hept-6-ynyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile Traditional Name: 2-(2-hept-6-ynyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CCCCCC#C)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CCCCCC#C)CC#N)OC

InChI

InChI=1S/C20H26N2O2/c1-4-5-6-7-8-12-22-13-10-16-14-19(23-2)20(24-3)15-17(16)18(22)9-11-21/h1,14-15,18H,5-10,12-13H2,2-3H3