2-(3-azanyl-1-oxidanylidene-isoquinolin-2-yl)-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-(3-azanyl-1-oxidanylidene-isoquinolin-2-yl)-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-(3-amino-1-oxo-2-isoquinolyl)-6-fluoro-benzonitrile CAS Name: 2-(3-amino-1-oxo-2-isoquinolinyl)-6-fluorobenzonitrile IUPAC Name: 2-(3-amino-1-oxoisoquinolin-2-yl)-6-fluorobenzonitrile Traditional Name: 2-(3-amino-1-keto-2-isoquinolyl)-6-fluoro-benzonitrile Formula: C16H10FN3O MolecularWeight: 279.268503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N(C2=O)C3=C(C(=CC=C3)F)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N(C2=O)C3=C(C(=CC=C3)F)C#N)N

InChI

InChI=1S/C16H10FN3O/c17-13-6-3-7-14(12(13)9-18)20-15(19)8-10-4-1-2-5-11(10)16(20)21/h1-8H,19H2