4-(4-bromophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-(4-bromophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 4-(4-bromophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 4-(4-bromophenyl)-2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-bromophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 4-(4-bromophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C25H23BrFN4O+ MolecularWeight: 494.378723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Br)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Br)C5=CC=CC=C5F

InChI

InChI=1S/C25H22BrFN4O/c26-19-11-9-18(10-12-19)24-20-5-1-2-6-21(20)25(32)31(28-24)17-29-13-15-30(16-14-29)23-8-4-3-7-22(23)27/h1-12H,13-17H2/p+1