1-(1-adamantyl)-4-nitro-N-[4-(trifluoromethyloxy)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-[4-(trifluoromethyloxy)phenyl]pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-[4-(trifluoromethoxy)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide Formula: C21H21F3N4O4 MolecularWeight: 450.41105

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=C(C=C5)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=C(C=C5)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21F3N4O4/c22-21(23,24)32-16-3-1-15(2-4-16)25-19(29)18-17(28(30)31)11-27(26-18)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14H,5-10H2,(H,25,29)