2-[1-(4-methylphenyl)isoquinolin-5-yl]ethanenitrile

Systemtic Name: 2-[1-(4-methylphenyl)isoquinolin-5-yl]ethanenitrile Openeye Name: 2-[1-(p-tolyl)-5-isoquinolyl]acetonitrile CAS Name: 2-[1-(4-methylphenyl)-5-isoquinolinyl]acetonitrile IUPAC Name: 2-[1-(4-methylphenyl)isoquinolin-5-yl]acetonitrile Traditional Name: 2-[1-(p-tolyl)-5-isoquinolyl]acetonitrile Formula: C18H14N2 MolecularWeight: 258.31716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC#N

InChI

InChI=1S/C18H14N2/c1-13-5-7-15(8-6-13)18-17-4-2-3-14(9-11-19)16(17)10-12-20-18/h2-8,10,12H,9H2,1H3