2-(3,5-dimethoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(3,5-dimethoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(3,5-dimethoxyphenyl)phthalazin-1-one CAS Name: 2-(3,5-dimethoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(3,5-dimethoxyphenyl)phthalazin-1-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(3,5-dimethoxyphenyl)phthalazin-1-one Formula: C28H29N4O4+ MolecularWeight: 485.55426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C28H28N4O4/c1-35-22-16-21(17-23(18-22)36-2)32-27(33)25-11-7-6-10-24(25)26(29-32)28(34)31-14-12-30(13-15-31)19-20-8-4-3-5-9-20/h3-11,16-18H,12-15,19H2,1-2H3/p+1