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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2-methyl-phthalazin-1-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2-methylphthalazin-1-one Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2-methyl-phthalazin-1-one Formula: C27H27N4O2+ MolecularWeight: 439.52888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2/c1-29-26(32)23-15-9-8-14-22(23)24(28-29)27(33)31-18-16-30(17-19-31)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,25H,16-19H2,1H3/p+1