4-(3-azanyl-1-oxidanylidene-isoquinolin-2-yl)benzenecarbonitrile

Systemtic Name: 4-(3-azanyl-1-oxidanylidene-isoquinolin-2-yl)benzenecarbonitrile Openeye Name: 4-(3-amino-1-oxo-2-isoquinolyl)benzonitrile CAS Name: 4-(3-amino-1-oxo-2-isoquinolinyl)benzonitrile IUPAC Name: 4-(3-amino-1-oxoisoquinolin-2-yl)benzonitrile Traditional Name: 4-(3-amino-1-keto-2-isoquinolyl)benzonitrile Formula: C16H11N3O MolecularWeight: 261.27804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O/c17-10-11-5-7-13(8-6-11)19-15(18)9-12-3-1-2-4-14(12)16(19)20/h1-9H,18H2