7-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 7-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 7-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 7-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 7-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 7-[[2-phenyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C16H17F3N4O MolecularWeight: 338.32759

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)CC2=NC(=NN2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCC(=O)NC(C1)CC2=NC(=NN2C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H17F3N4O/c17-16(18,19)15-21-13(10-11-6-4-5-9-14(24)20-11)23(22-15)12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2,(H,20,24)