2-(1-hexylisoquinolin-5-yl)ethanenitrile

Systemtic Name: 2-(1-hexylisoquinolin-5-yl)ethanenitrile Openeye Name: 2-(1-hexyl-5-isoquinolyl)acetonitrile CAS Name: 2-(1-hexyl-5-isoquinolinyl)acetonitrile IUPAC Name: 2-(1-hexylisoquinolin-5-yl)acetonitrile Traditional Name: 2-(1-hexyl-5-isoquinolyl)acetonitrile Formula: C17H20N2 MolecularWeight: 252.3541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC=CC2=C1C=CC=C2CC#N

Isomeric SMILES

CCCCCCC1=NC=CC2=C1C=CC=C2CC#N

InChI

InChI=1S/C17H20N2/c1-2-3-4-5-9-17-16-8-6-7-14(10-12-18)15(16)11-13-19-17/h6-8,11,13H,2-5,9-10H2,1H3