6-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-phenyl-1,4-dihydropyridazin-3-one

Systemtic Name: 6-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-phenyl-1,4-dihydropyridazin-3-one Openeye Name: 6-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one CAS Name: 6-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-phenyl-1,4-dihydropyridazin-3-one IUPAC Name: 6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one Traditional Name: 6-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one Formula: C23H26FN4O3+ MolecularWeight: 425.475943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4)F

InChI

InChI=1S/C23H25FN4O3/c1-31-21-9-7-17(15-19(21)24)16-26-11-13-27(14-12-26)23(30)20-8-10-22(29)28(25-20)18-5-3-2-4-6-18/h2-9,15,25H,10-14,16H2,1H3/p+1