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

Systemtic Name: 4-(3-azanyl-1-oxidanylidene-isoquinolin-2-yl)benzamide Openeye Name: 4-(3-amino-1-oxo-2-isoquinolyl)benzamide CAS Name: 4-(3-amino-1-oxo-2-isoquinolinyl)benzamide IUPAC Name: 4-(3-amino-1-oxoisoquinolin-2-yl)benzamide Traditional Name: 4-(3-amino-1-keto-2-isoquinolyl)benzamide Formula: C16H13N3O2 MolecularWeight: 279.29332

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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(=O)N)N

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2/c17-14-9-11-3-1-2-4-13(11)16(21)19(14)12-7-5-10(6-8-12)15(18)20/h1-9H,17H2,(H2,18,20)