[2-(2-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] adamantane-1-carboxylate

Systemtic Name: [2-(2-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] adamantane-1-carboxylate Openeye Name: [2-(2-chlorophenyl)-5-isopropyl-pyrazol-3-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(2-chlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(2-chlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C23H27ClN2O2 MolecularWeight: 398.92568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5Cl

Isomeric SMILES

CC(C)C1=NN(C(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5Cl

InChI

InChI=1S/C23H27ClN2O2/c1-14(2)19-10-21(26(25-19)20-6-4-3-5-18(20)24)28-22(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,10,14-17H,7-9,11-13H2,1-2H3