2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenoxy]ethanenitrile

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenoxy]ethanenitrile Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]acetonitrile CAS Name: 2-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenoxy]acetonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]acetonitrile Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]acetonitrile Formula: C18H16N2O2 MolecularWeight: 292.33184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OCC#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C18H16N2O2/c19-10-12-22-17-7-5-15(6-8-17)18(21)20-11-9-14-3-1-2-4-16(14)13-20/h1-8H,9,11-13H2