4-isoquinolin-3-ylbutanenitrile

Systemtic Name: 4-isoquinolin-3-ylbutanenitrile Openeye Name: 4-(3-isoquinolyl)butanenitrile CAS Name: 4-(3-isoquinolinyl)butanenitrile IUPAC Name: 4-isoquinolin-3-ylbutanenitrile Traditional Name: 4-(3-isoquinolyl)butyronitrile Formula: C13H12N2 MolecularWeight: 196.24778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)CCCC#N

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)CCCC#N

InChI

InChI=1S/C13H12N2/c14-8-4-3-7-13-9-11-5-1-2-6-12(11)10-15-13/h1-2,5-6,9-10H,3-4,7H2