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

Systemtic Name: 2-[1-[4-(methylamino)phenyl]isoquinolin-5-yl]ethanenitrile Openeye Name: 2-[1-[4-(methylamino)phenyl]-5-isoquinolyl]acetonitrile CAS Name: 2-[1-[4-(methylamino)phenyl]-5-isoquinolinyl]acetonitrile IUPAC Name: 2-[1-[4-(methylamino)phenyl]isoquinolin-5-yl]acetonitrile Traditional Name: 2-[1-[4-(methylamino)phenyl]-5-isoquinolyl]acetonitrile Formula: C18H15N3 MolecularWeight: 273.3318

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC#N

Isomeric SMILES

CNC1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC#N

InChI

InChI=1S/C18H15N3/c1-20-15-7-5-14(6-8-15)18-17-4-2-3-13(9-11-19)16(17)10-12-21-18/h2-8,10,12,20H,9H2,1H3