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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)CC2CC(=NN2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCC(=O)NC(C1)CC2CC(=NN2C3=CC=CC=C3)C(F)(F)F

InChI

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