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

Systemtic Name: [5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-(4-bromophenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C19H18BrF3N5O+ MolecularWeight: 469.27833

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H17BrF3N5O/c1-26-6-8-27(9-7-26)18(29)14-11-24-28-16(19(21,22)23)10-15(25-17(14)28)12-2-4-13(20)5-3-12/h2-5,10-11H,6-9H2,1H3/p+1