2-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-7-(trifluoromethyl)quinazolin-4-olate

Systemtic Name: 2-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-7-(trifluoromethyl)quinazolin-4-olate Openeye Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-7-(trifluoromethyl)quinazolin-4-olate CAS Name: 2-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-7-(trifluoromethyl)-4-quinazolinolate IUPAC Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-7-(trifluoromethyl)quinazolin-4-olate Traditional Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-7-(trifluoromethyl)quinazolin-4-olate Formula: C22H21F3N4O2 MolecularWeight: 430.42295

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)C(F)(F)F)C(=N3)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)C(F)(F)F)C(=N3)[O-]

InChI

InChI=1S/C22H21F3N4O2/c1-14(30)15-2-5-17(6-3-15)29-10-8-28(9-11-29)13-20-26-19-12-16(22(23,24)25)4-7-18(19)21(31)27-20/h2-7,12H,8-11,13H2,1H3,(H,26,27,31)