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

Systemtic Name: N-(3-phenylmethoxypropyl)-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-benzyloxypropyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide CAS Name: N-(3-phenylmethoxypropyl)-1-[2-(trifluoromethyl)phenyl]-4-triazolecarboxamide IUPAC Name: N-(3-phenylmethoxypropyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide Traditional Name: N-(3-benzoxypropyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide Formula: C20H19F3N4O2 MolecularWeight: 404.38567

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC(=O)C2=CN(N=N2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC(=O)C2=CN(N=N2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H19F3N4O2/c21-20(22,23)16-9-4-5-10-18(16)27-13-17(25-26-27)19(28)24-11-6-12-29-14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,24,28)