N-(1-adamantylmethyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(1-adamantylmethyl)-1-(4-methylphenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C23H26F3N3O MolecularWeight: 417.46725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(F)(F)F

InChI

InChI=1S/C23H26F3N3O/c1-14-2-4-18(5-3-14)29-20(23(24,25)26)19(12-28-29)21(30)27-13-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,12,15-17H,6-11,13H2,1H3,(H,27,30)