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

Systemtic Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C21H23FN5O2+ MolecularWeight: 396.438023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN5O2/c22-15-5-7-16(8-6-15)26-11-9-25(10-12-26)14-20-24-18-4-2-1-3-17(18)21(29)27(20)13-19(23)28/h1-8H,9-14H2,(H2,23,28)/p+1