[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] adamantane-1-carboxylate

Systemtic Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] adamantane-1-carboxylate Openeye Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] ester Formula: C24H29ClN2O2 MolecularWeight: 412.95226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O2/c1-23(2,3)20-11-21(27(26-20)19-6-4-18(25)5-7-19)29-22(28)24-12-15-8-16(13-24)10-17(9-15)14-24/h4-7,11,15-17H,8-10,12-14H2,1-3H3