[3-chloranyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-chloranyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H20ClF3N5O2+ MolecularWeight: 454.85331

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)OC)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)OC)C(F)(F)F

InChI

InChI=1S/C20H19ClF3N5O2/c1-27-7-9-28(10-8-27)19(30)17-16(21)18-25-14(12-3-5-13(31-2)6-4-12)11-15(20(22,23)24)29(18)26-17/h3-6,11H,7-10H2,1-2H3/p+1