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

Systemtic Name: 3-(4-fluorophenyl)-2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C24H22FN4O3+ MolecularWeight: 433.454883

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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)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C(=O)C5=CC=CO5

InChI

InChI=1S/C24H21FN4O3/c25-17-7-9-18(10-8-17)29-22(26-20-5-2-1-4-19(20)23(29)30)16-27-11-13-28(14-12-27)24(31)21-6-3-15-32-21/h1-10,15H,11-14,16H2/p+1