5-(azepan-1-yl)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one

Systemtic Name: 5-(azepan-1-yl)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Openeye Name: 5-(azepan-1-yl)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one CAS Name: 5-(1-azepanyl)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one IUPAC Name: 5-(azepan-1-yl)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Traditional Name: 5-(azepan-1-yl)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Formula: C21H21N4O+ MolecularWeight: 345.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=N[N+]3=C(C4=CC=CC=C42)NC5=CC=CC=C5C3=O

Isomeric SMILES

C1CCCN(CC1)C2=N[N+]3=C(C4=CC=CC=C42)NC5=CC=CC=C5C3=O

InChI

InChI=1S/C21H20N4O/c26-21-17-11-5-6-12-18(17)22-19-15-9-3-4-10-16(15)20(23-25(19)21)24-13-7-1-2-8-14-24/h3-6,9-12H,1-2,7-8,13-14H2/p+1