6-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one

Systemtic Name: 6-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one Openeye Name: 6-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(o-tolyl)-1,4-dihydropyridazin-3-one CAS Name: 6-[[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one IUPAC Name: 6-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one Traditional Name: 6-[4-(4-fluorobenzyl)piperazin-4-ium-1-carbonyl]-2-(o-tolyl)-1,4-dihydropyridazin-3-one Formula: C23H26FN4O2+ MolecularWeight: 409.476543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CC=C(N2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)CC=C(N2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O2/c1-17-4-2-3-5-21(17)28-22(29)11-10-20(25-28)23(30)27-14-12-26(13-15-27)16-18-6-8-19(24)9-7-18/h2-10,25H,11-16H2,1H3/p+1