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

Systemtic Name: 1-(azepan-1-yl)-2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one Formula: C14H19BrF3N3O MolecularWeight: 382.21937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)N2CCCCCC2)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)N2CCCCCC2)C(F)(F)F)Br

InChI

InChI=1S/C14H19BrF3N3O/c1-9-11(15)12(14(16,17)18)19-21(9)10(2)13(22)20-7-5-3-4-6-8-20/h10H,3-8H2,1-2H3