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

Systemtic Name: 2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-ethanamide Openeye Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-acetamide CAS Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-octadecylacetamide IUPAC Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecylacetamide Traditional Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-stearyl-acetamide Formula: C27H45BrF3N3O MolecularWeight: 564.56491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CN1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CN1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

InChI

InChI=1S/C27H45BrF3N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-23(35)21-34-25(22-18-19-22)24(28)26(33-34)27(29,30)31/h22H,2-21H2,1H3,(H,32,35)