2-(1-tert-butylisoquinolin-5-yl)ethanenitrile

Systemtic Name: 2-(1-tert-butylisoquinolin-5-yl)ethanenitrile Openeye Name: 2-(1-tert-butyl-5-isoquinolyl)acetonitrile CAS Name: 2-(1-tert-butyl-5-isoquinolinyl)acetonitrile IUPAC Name: 2-(1-tert-butylisoquinolin-5-yl)acetonitrile Traditional Name: 2-(1-tert-butyl-5-isoquinolyl)acetonitrile Formula: C15H16N2 MolecularWeight: 224.30094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=CC2=C1C=CC=C2CC#N

Isomeric SMILES

CC(C)(C)C1=NC=CC2=C1C=CC=C2CC#N

InChI

InChI=1S/C15H16N2/c1-15(2,3)14-13-6-4-5-11(7-9-16)12(13)8-10-17-14/h4-6,8,10H,7H2,1-3H3