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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)Br

InChI

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