[2-(4-chlorophenyl)-5-methyl-pyrazol-3-yl] (5S,7R)-3-(4-methylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-5-methyl-pyrazol-3-yl] (5S,7R)-3-(4-methylphenyl)adamantane-1-carboxylate Openeye Name: [2-(4-chlorophenyl)-5-methyl-pyrazol-3-yl] (5S,7R)-3-(p-tolyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(4-methylphenyl)-1-adamantanecarboxylic acid [2-(4-chlorophenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-methylpyrazol-3-yl] (5S,7R)-3-(4-methylphenyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(p-tolyl)adamantane-1-carboxylic acid [2-(4-chlorophenyl)-5-methyl-pyrazol-3-yl] ester Formula: C28H29ClN2O2 MolecularWeight: 460.99506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OC5=CC(=NN5C6=CC=C(C=C6)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)OC5=CC(=NN5C6=CC=C(C=C6)Cl)C

InChI

InChI=1S/C28H29ClN2O2/c1-18-3-5-22(6-4-18)27-13-20-12-21(14-27)16-28(15-20,17-27)26(32)33-25-11-19(2)30-31(25)24-9-7-23(29)8-10-24/h3-11,20-21H,12-17H2,1-2H3/t20-,21+,27?,28?