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

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-7-(trifluoromethyl)quinazolin-4-olate Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(trifluoromethyl)quinazolin-4-olate CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-7-(trifluoromethyl)-4-quinazolinolate IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(trifluoromethyl)quinazolin-4-olate Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-(trifluoromethyl)quinazolin-4-olate Formula: C27H25F3N4O MolecularWeight: 478.50881

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)C(F)(F)F)C(=N2)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)C(F)(F)F)C(=N2)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25F3N4O/c28-27(29,30)21-11-12-22-23(17-21)31-24(32-26(22)35)18-33-13-15-34(16-14-33)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,25H,13-16,18H2,(H,31,32,35)