4-[(8-azanylisoquinolin-5-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(8-azanylisoquinolin-5-yl)amino]benzenecarbonitrile Openeye Name: 4-[(8-amino-5-isoquinolyl)amino]benzonitrile CAS Name: 4-[(8-amino-5-isoquinolinyl)amino]benzonitrile IUPAC Name: 4-[(8-aminoisoquinolin-5-yl)amino]benzonitrile Traditional Name: 4-[(8-amino-5-isoquinolyl)amino]benzonitrile Formula: C16H12N4 MolecularWeight: 260.29328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=C3C=CN=CC3=C(C=C2)N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=C3C=CN=CC3=C(C=C2)N

InChI

InChI=1S/C16H12N4/c17-9-11-1-3-12(4-2-11)20-16-6-5-15(18)14-10-19-8-7-13(14)16/h1-8,10,20H,18H2