2-[1-(2-methylpropyl)isoquinolin-5-yl]ethanenitrile

Systemtic Name: 2-[1-(2-methylpropyl)isoquinolin-5-yl]ethanenitrile Openeye Name: 2-(1-isobutyl-5-isoquinolyl)acetonitrile CAS Name: 2-[1-(2-methylpropyl)-5-isoquinolinyl]acetonitrile IUPAC Name: 2-[1-(2-methylpropyl)isoquinolin-5-yl]acetonitrile Traditional Name: 2-(1-isobutyl-5-isoquinolyl)acetonitrile Formula: C15H16N2 MolecularWeight: 224.30094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC=CC2=C1C=CC=C2CC#N

Isomeric SMILES

CC(C)CC1=NC=CC2=C1C=CC=C2CC#N

InChI

InChI=1S/C15H16N2/c1-11(2)10-15-14-5-3-4-12(6-8-16)13(14)7-9-17-15/h3-5,7,9,11H,6,10H2,1-2H3