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

Systemtic Name: 7-[[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-4-yl]methyl]azepan-2-one Openeye Name: 7-[[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-4-yl]methyl]azepan-2-one CAS Name: 7-[[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-4-yl]methyl]-2-azepanone IUPAC Name: 7-[[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-4-yl]methyl]azepan-2-one Traditional Name: 7-[[1-phenyl-3-(trifluoromethyl)-2-pyrazolin-4-yl]methyl]azepan-2-one Formula: C17H20F3N3O MolecularWeight: 339.35541

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)CC2CN(N=C2C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)NC(C1)CC2CN(N=C2C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C17H20F3N3O/c18-17(19,20)16-12(10-13-6-4-5-9-15(24)21-13)11-23(22-16)14-7-2-1-3-8-14/h1-3,7-8,12-13H,4-6,9-11H2,(H,21,24)