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

Systemtic Name: 2-(6,7-dimethoxy-2-oct-7-ynyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanenitrile Openeye Name: 2-(6,7-dimethoxy-2-oct-7-ynyl-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile CAS Name: 2-(6,7-dimethoxy-2-oct-7-ynyl-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile IUPAC Name: 2-(6,7-dimethoxy-2-oct-7-ynyl-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile Traditional Name: 2-(6,7-dimethoxy-2-oct-7-ynyl-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-4-5-6-7-8-9-13-23-14-11-17-15-20(24-2)21(25-3)16-18(17)19(23)10-12-22/h1,15-16,19H,5-11,13-14H2,2-3H3