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

Systemtic Name: 2-(4-ethoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-ethoxyphenyl)phthalazin-1-one CAS Name: 2-(4-ethoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-ethoxyphenyl)phthalazin-1-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-p-phenetyl-phthalazin-1-one Formula: C28H29N4O3+ MolecularWeight: 469.55486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c1-2-35-23-14-12-22(13-15-23)32-27(33)25-11-7-6-10-24(25)26(29-32)28(34)31-18-16-30(17-19-31)20-21-8-4-3-5-9-21/h3-15H,2,16-20H2,1H3/p+1