3-[3-[[2-(azepan-1-yl)phenyl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[[2-(azepan-1-yl)phenyl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[2-(azepan-1-yl)anilino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[2-(1-azepanyl)anilino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-[2-(azepan-1-yl)anilino]-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C23H25N4O3- MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C23H26N4O3/c28-21(13-16-27-23(30)18-10-4-3-9-17(18)22(29)25-27)24-19-11-5-6-12-20(19)26-14-7-1-2-8-15-26/h3-6,9-12H,1-2,7-8,13-16H2,(H,24,28)(H,25,29)/p-1