[2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] adamantane-1-carboxylate

Systemtic Name: [2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] adamantane-1-carboxylate Openeye Name: [2-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(4-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C22H23F3N2O2 MolecularWeight: 404.42543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H23F3N2O2/c1-13-2-4-17(5-3-13)27-19(9-18(26-27)22(23,24)25)29-20(28)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,9,14-16H,6-8,10-12H2,1H3