1-(phenylmethyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]triazole-4-carboxamide CAS Name: 1-(phenylmethyl)-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]triazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]triazole-4-carboxamide Formula: C21H20F3N5O MolecularWeight: 415.41161

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20F3N5O/c22-21(23,24)16-8-9-19(28-10-4-5-11-28)17(12-16)25-20(30)18-14-29(27-26-18)13-15-6-2-1-3-7-15/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,25,30)