4-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-30-28(34)24-15-9-8-14-23(24)25(29-30)20-26(33)31-16-18-32(19-17-31)27(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,27H,16-20H2,1H3/p+1