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

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-propanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-propanamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-octadecylpropanamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecylpropanamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-stearyl-propionamide Formula: C26H45BrF3N3O MolecularWeight: 552.55421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(C)N1C(=C(C(=N1)C(F)(F)F)Br)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(C)N1C(=C(C(=N1)C(F)(F)F)Br)C

InChI

InChI=1S/C26H45BrF3N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-25(34)22(3)33-21(2)23(27)24(32-33)26(28,29)30/h22H,4-20H2,1-3H3,(H,31,34)