2-[(8-azanylisoquinolin-5-yl)amino]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[(8-azanylisoquinolin-5-yl)amino]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[(8-amino-5-isoquinolyl)amino]-6-fluoro-benzonitrile CAS Name: 2-[(8-amino-5-isoquinolinyl)amino]-6-fluorobenzonitrile IUPAC Name: 2-[(8-aminoisoquinolin-5-yl)amino]-6-fluorobenzonitrile Traditional Name: 2-[(8-amino-5-isoquinolyl)amino]-6-fluoro-benzonitrile Formula: C16H11FN4 MolecularWeight: 278.283743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11FN4/c17-13-2-1-3-15(11(13)8-18)21-16-5-4-14(19)12-9-20-7-6-10(12)16/h1-7,9,21H,19H2