[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone CAS Name: [5-(4-methylphenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Formula: C20H21F3N5O+ MolecularWeight: 404.40885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H20F3N5O/c1-13-3-5-14(6-4-13)16-11-17(20(21,22)23)28-18(25-16)15(12-24-28)19(29)27-9-7-26(2)8-10-27/h3-6,11-12H,7-10H2,1-2H3/p+1