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

Systemtic Name: 2-(1-propylisoquinolin-5-yl)ethanenitrile Openeye Name: 2-(1-propyl-5-isoquinolyl)acetonitrile CAS Name: 2-(1-propyl-5-isoquinolinyl)acetonitrile IUPAC Name: 2-(1-propylisoquinolin-5-yl)acetonitrile Traditional Name: 2-(1-propyl-5-isoquinolyl)acetonitrile Formula: C14H14N2 MolecularWeight: 210.27436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CC2=C1C=CC=C2CC#N

Isomeric SMILES

CCCC1=NC=CC2=C1C=CC=C2CC#N

InChI

InChI=1S/C14H14N2/c1-2-4-14-13-6-3-5-11(7-9-15)12(13)8-10-16-14/h3,5-6,8,10H,2,4,7H2,1H3