3-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C25H23F2N4O+ MolecularWeight: 433.473126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C5=CC=CC=C5F

InChI

InChI=1S/C25H22F2N4O/c26-18-9-11-19(12-10-18)31-24(28-22-7-3-1-5-20(22)25(31)32)17-29-13-15-30(16-14-29)23-8-4-2-6-21(23)27/h1-12H,13-17H2/p+1