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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C25H23ClFN4O+ MolecularWeight: 449.927723

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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=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClFN4O/c26-18-4-3-5-21(16-18)30-14-12-29(13-15-30)17-24-28-23-7-2-1-6-22(23)25(32)31(24)20-10-8-19(27)9-11-20/h1-11,16H,12-15,17H2/p+1