N-(1-adamantyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide Formula: C17H21F3N4O3 MolecularWeight: 386.36885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC23CC4CC(C2)CC(C4)C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC23CC4CC(C2)CC(C4)C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H21F3N4O3/c1-9-14(24(26)27)15(17(18,19)20)22-23(9)8-13(25)21-16-5-10-2-11(6-16)4-12(3-10)7-16/h10-12H,2-8H2,1H3,(H,21,25)