N-(2-adamantyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(2-adamantyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(2-adamantyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(2-adamantyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(2-adamantyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H21ClF3N3O MolecularWeight: 423.85915

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=C(N(N=C4)C5=CC=C(C=C5)Cl)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=C(N(N=C4)C5=CC=C(C=C5)Cl)C(F)(F)F

InChI

InChI=1S/C21H21ClF3N3O/c22-15-1-3-16(4-2-15)28-19(21(23,24)25)17(10-26-28)20(29)27-18-13-6-11-5-12(8-13)9-14(18)7-11/h1-4,10-14,18H,5-9H2,(H,27,29)