2-(1-pentan-3-ylisoquinolin-5-yl)ethanenitrile

Systemtic Name: 2-(1-pentan-3-ylisoquinolin-5-yl)ethanenitrile Openeye Name: 2-[1-(1-ethylpropyl)-5-isoquinolyl]acetonitrile CAS Name: 2-(1-pentan-3-yl-5-isoquinolinyl)acetonitrile IUPAC Name: 2-(1-pentan-3-ylisoquinolin-5-yl)acetonitrile Traditional Name: 2-[1-(1-ethylpropyl)-5-isoquinolyl]acetonitrile Formula: C16H18N2 MolecularWeight: 238.32752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2/c1-3-12(4-2)16-15-7-5-6-13(8-10-17)14(15)9-11-18-16/h5-7,9,11-12H,3-4,8H2,1-2H3