N-(4-pyrrolidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-pyrrolidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-pyrrolidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide CAS Name: N-[4-(1-pyrrolidinyl)phenyl]-1-[2-(trifluoromethyl)phenyl]-4-triazolecarboxamide IUPAC Name: N-(4-pyrrolidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide Traditional Name: N-(4-pyrrolidinophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide Formula: C20H18F3N5O MolecularWeight: 401.38503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H18F3N5O/c21-20(22,23)16-5-1-2-6-18(16)28-13-17(25-26-28)19(29)24-14-7-9-15(10-8-14)27-11-3-4-12-27/h1-2,5-10,13H,3-4,11-12H2,(H,24,29)