3-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C24H24F3N6O2+ MolecularWeight: 485.48157

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=NC=CC=N4

InChI

InChI=1S/C24H23F3N6O2/c25-24(26,27)18-5-2-7-20(15-18)31-22(35)17-4-1-6-19(14-17)30-21(34)16-32-10-12-33(13-11-32)23-28-8-3-9-29-23/h1-9,14-15H,10-13,16H2,(H,30,34)(H,31,35)/p+1