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

Systemtic Name: 3-bromanyl-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-N-[2-(4-morpholin-4-iumyl)ethyl]-5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C20H20BrF3N5O2+ MolecularWeight: 499.30431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrF3N5O2/c21-16-17(19(30)25-6-7-28-8-10-31-11-9-28)27-29-15(20(22,23)24)12-14(26-18(16)29)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,25,30)/p+1