N-isoquinolin-3-yl-2-[(6-oxidanylidene-1H-pyridin-3-yl)methylamino]pyridine-3-carboxamide

Systemtic Name: N-isoquinolin-3-yl-2-[(6-oxidanylidene-1H-pyridin-3-yl)methylamino]pyridine-3-carboxamide Openeye Name: N-(3-isoquinolyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-carboxamide CAS Name: N-(3-isoquinolinyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]-3-pyridinecarboxamide IUPAC Name: N-isoquinolin-3-yl-2-[(6-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-carboxamide Traditional Name: N-(3-isoquinolyl)-2-[(6-keto-1H-pyridin-3-yl)methylamino]nicotinamide Formula: C21H17N5O2 MolecularWeight: 371.39198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=C(N=CC=C3)NCC4=CNC(=O)C=C4

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=C(N=CC=C3)NCC4=CNC(=O)C=C4

InChI

InChI=1S/C21H17N5O2/c27-19-8-7-14(11-24-19)12-25-20-17(6-3-9-22-20)21(28)26-18-10-15-4-1-2-5-16(15)13-23-18/h1-11,13H,12H2,(H,22,25)(H,24,27)(H,23,26,28)