1-(azepan-1-yl)-2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone Formula: C13H17BrF3N3O MolecularWeight: 368.19279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCCCCC2)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCCCCC2)C(F)(F)F)Br

InChI

InChI=1S/C13H17BrF3N3O/c1-9-11(14)12(13(15,16)17)18-20(9)8-10(21)19-6-4-2-3-5-7-19/h2-8H2,1H3