2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-ethanamide

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-ethanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-acetamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-octadecylacetamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecylacetamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-stearyl-acetamide Formula: C25H43BrF3N3O MolecularWeight: 538.52763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CN1C(=C(C(=N1)C(F)(F)F)Br)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CN1C(=C(C(=N1)C(F)(F)F)Br)C

InChI

InChI=1S/C25H43BrF3N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-22(33)20-32-21(2)23(26)24(31-32)25(27,28)29/h3-20H2,1-2H3,(H,30,33)