2-[3-[bis(fluoranyl)methyl]-5-methyl-pyrazol-1-yl]-N-octadecyl-propanamide

Systemtic Name: 2-[3-[bis(fluoranyl)methyl]-5-methyl-pyrazol-1-yl]-N-octadecyl-propanamide Openeye Name: 2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-octadecyl-propanamide CAS Name: 2-[3-(difluoromethyl)-5-methyl-1-pyrazolyl]-N-octadecylpropanamide IUPAC Name: 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-octadecylpropanamide Traditional Name: 2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-stearyl-propionamide Formula: C26H47F2N3O MolecularWeight: 455.667686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47F2N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-26(32)23(3)31-22(2)21-24(30-31)25(27)28/h21,23,25H,4-20H2,1-3H3,(H,29,32)