N-(1-adamantyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(1-adamantyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(1-adamantyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(1-adamantyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(1-adamantyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H21F4N3O MolecularWeight: 407.404553

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(N(N=C4)C5=CC=C(C=C5)F)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(N(N=C4)C5=CC=C(C=C5)F)C(F)(F)F

InChI

InChI=1S/C21H21F4N3O/c22-15-1-3-16(4-2-15)28-18(21(23,24)25)17(11-26-28)19(29)27-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14H,5-10H2,(H,27,29)