3-bromanyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 3-bromanyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-N-[3-(4-morpholin-4-iumyl)propyl]-5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C21H22BrF3N5O2+ MolecularWeight: 513.33089

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H21BrF3N5O2/c22-17-18(20(31)26-7-4-8-29-9-11-32-12-10-29)28-30-16(21(23,24)25)13-15(27-19(17)30)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,26,31)/p+1