7-[bis(fluoranyl)methyl]-5-methyl-N-octadecyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 7-[bis(fluoranyl)methyl]-5-methyl-N-octadecyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 7-(difluoromethyl)-5-methyl-N-octadecyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 7-(difluoromethyl)-5-methyl-N-octadecyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 7-(difluoromethyl)-5-methyl-N-octadecylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 7-(difluoromethyl)-5-methyl-N-stearyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C27H44F2N4O MolecularWeight: 478.661266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C2N=C(C=C(N2N=C1)C(F)F)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C2N=C(C=C(N2N=C1)C(F)F)C

InChI

InChI=1S/C27H44F2N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-27(34)23-21-31-33-24(25(28)29)20-22(2)32-26(23)33/h20-21,25H,3-19H2,1-2H3,(H,30,34)