N-(1-adamantyl)-2-[bis(fluoranyl)methyl]-N-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-2-[bis(fluoranyl)methyl]-N-methyl-pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-2-(difluoromethyl)-N-methyl-pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-2-(difluoromethyl)-N-methyl-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-2-(difluoromethyl)-N-methyl-pyrazole-3-carboxamide Formula: C16H21F2N3O MolecularWeight: 309.354246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC=NN1C(F)F)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C(=O)C1=CC=NN1C(F)F)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H21F2N3O/c1-20(14(22)13-2-3-19-21(13)15(17)18)16-7-10-4-11(8-16)6-12(5-10)9-16/h2-3,10-12,15H,4-9H2,1H3