2-isoquinolin-1-yl-2-phenyl-ethanenitrile

Systemtic Name: 2-isoquinolin-1-yl-2-phenyl-ethanenitrile Openeye Name: 2-(1-isoquinolyl)-2-phenyl-acetonitrile CAS Name: 2-(1-isoquinolinyl)-2-phenylacetonitrile IUPAC Name: 2-isoquinolin-1-yl-2-phenylacetonitrile Traditional Name: 2-(1-isoquinolyl)-2-phenyl-acetonitrile Formula: C17H12N2 MolecularWeight: 244.29058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C17H12N2/c18-12-16(13-6-2-1-3-7-13)17-15-9-5-4-8-14(15)10-11-19-17/h1-11,16H