3-(4-fluorophenyl)-5-oxidanylidene-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile; 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine

Systemtic Name: 3-(4-fluorophenyl)-5-oxidanylidene-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile; 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine Openeye Name: 3-(4-fluorophenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile; 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine CAS Name: 3-(4-fluorophenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile; 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine IUPAC Name: 3-(4-fluorophenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile; 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine Traditional Name: 3-(4-fluorophenyl)-5-keto-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile; 2,3,4,6,7,8,9,10-octahydropyrimid[1,2-a]azepine Formula: C23H22FN7O MolecularWeight: 431.465483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NCCCN2CC1.C1=CC(=CC=C1N2C=NC3=C2NC(=O)C(=C3C#N)C#N)F

Isomeric SMILES

C1CCC2=NCCCN2CC1.C1=CC(=CC=C1N2C=NC3=C2NC(=O)C(=C3C#N)C#N)F

InChI

InChI=1S/C14H6FN5O.C9H16N2/c15-8-1-3-9(4-2-8)20-7-18-12-10(5-16)11(6-17)14(21)19-13(12)20;1-2-5-9-10-6-4-8-11(9)7-3-1/h1-4,7H,(H,19,21);1-8H2