2-[(8-azanylisoquinolin-5-yl)amino]benzenecarbonitrile

Systemtic Name: 2-[(8-azanylisoquinolin-5-yl)amino]benzenecarbonitrile Openeye Name: 2-[(8-amino-5-isoquinolyl)amino]benzonitrile CAS Name: 2-[(8-amino-5-isoquinolinyl)amino]benzonitrile IUPAC Name: 2-[(8-aminoisoquinolin-5-yl)amino]benzonitrile Traditional Name: 2-[(8-amino-5-isoquinolyl)amino]benzonitrile Formula: C16H12N4 MolecularWeight: 260.29328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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