2-methyl-4-[4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]phenyl]phthalazin-1-one Openeye Name: 4-[4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]phenyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]phenyl]-1-phthalazinone IUPAC Name: 4-[4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]phenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]phenyl]-2-methyl-phthalazin-1-one Formula: C28H29N4O3+ MolecularWeight: 469.55486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c1-30-28(34)25-10-6-5-9-24(25)27(29-30)22-11-13-23(14-12-22)35-20-26(33)32-17-15-31(16-18-32)19-21-7-3-2-4-8-21/h2-14H,15-20H2,1H3/p+1