2-(1-butan-2-ylisoquinolin-5-yl)ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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