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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-2-ethyl-phthalazin-1-one Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2-ethyl-phthalazin-1-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-ethyl-1-phthalazinone IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2-ethylphthalazin-1-one Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2-ethyl-phthalazin-1-one Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-2-32-27(33)24-16-10-9-15-23(24)25(29-32)28(34)31-19-17-30(18-20-31)26(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,26H,2,17-20H2,1H3/p+1