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

Systemtic Name: 1-(1-adamantyl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C21H20ClF3N4O3 MolecularWeight: 468.85671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClF3N4O3/c22-16-2-1-14(6-15(16)21(23,24)25)26-19(30)18-17(29(31)32)10-28(27-18)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13H,3-5,7-9H2,(H,26,30)