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

Systemtic Name: [5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-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-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Formula: C26H25F3N5O+ MolecularWeight: 480.50481

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H24F3N5O/c1-18-7-9-20(10-8-18)22-15-23(26(27,28)29)34-24(31-22)21(16-30-34)25(35)33-13-11-32(12-14-33)17-19-5-3-2-4-6-19/h2-10,15-16H,11-14,17H2,1H3/p+1