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

Systemtic Name: 2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-propanamide Openeye Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-propanamide CAS Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-octadecylpropanamide IUPAC Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecylpropanamide Traditional Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-stearyl-propionamide Formula: C28H47BrF3N3O MolecularWeight: 578.59149

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(C)N1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(C)N1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

InChI

InChI=1S/C28H47BrF3N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-27(36)22(2)35-25(23-19-20-23)24(29)26(34-35)28(30,31)32/h22-23H,3-21H2,1-2H3,(H,33,36)