4-oxidanylidene-3-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]phthalazin-1-olate Openeye Name: 3-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]ethyl]-1-phthalazinolate IUPAC Name: 3-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C27H27N5O3/c33-25(19-32-27(35)24-9-5-4-8-23(24)26(34)29-32)28-21-10-12-22(13-11-21)31-16-14-30(15-17-31)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,28,33)(H,29,34)