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

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide CAS Name: N-[1-(1-adamantyl)propyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide Formula: C20H27F3N4O3 MolecularWeight: 428.44859

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=C(C(=N4)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=C(C(=N4)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C20H27F3N4O3/c1-3-15(19-7-12-4-13(8-19)6-14(5-12)9-19)24-16(28)10-26-11(2)17(27(29)30)18(25-26)20(21,22)23/h12-15H,3-10H2,1-2H3,(H,24,28)