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

Systemtic Name: 2-[1-(4-methoxyphenyl)isoquinolin-5-yl]ethanenitrile Openeye Name: 2-[1-(4-methoxyphenyl)-5-isoquinolyl]acetonitrile CAS Name: 2-[1-(4-methoxyphenyl)-5-isoquinolinyl]acetonitrile IUPAC Name: 2-[1-(4-methoxyphenyl)isoquinolin-5-yl]acetonitrile Traditional Name: 2-[1-(4-methoxyphenyl)-5-isoquinolyl]acetonitrile Formula: C18H14N2O MolecularWeight: 274.31656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC#N

InChI

InChI=1S/C18H14N2O/c1-21-15-7-5-14(6-8-15)18-17-4-2-3-13(9-11-19)16(17)10-12-20-18/h2-8,10,12H,9H2,1H3