2-(2-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(2-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one CAS Name: 2-(2-methoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c1-34-24-14-8-7-13-23(24)31-26(32)22-12-6-5-11-21(22)25(28-31)27(33)30-17-15-29(16-18-30)19-20-9-3-2-4-10-20/h2-14H,15-19H2,1H3/p+1