3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]adamantane-1-carboxamide

Systemtic Name: 3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]adamantane-1-carboxamide Openeye Name: 3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]adamantane-1-carboxamide CAS Name: 3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1-adamantanecarboxamide IUPAC Name: 3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]adamantane-1-carboxamide Traditional Name: 3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]adamantane-1-carboxamide Formula: C20H21F3N4O MolecularWeight: 390.40215

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)NC4=NNC(=N4)C(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)NC4=NNC(=N4)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C20H21F3N4O/c21-20(22,23)15-24-17(27-26-15)25-16(28)19-9-12-6-13(10-19)8-18(7-12,11-19)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,24,25,26,27,28)