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

Systemtic Name: [2-(4-methylphenyl)-5-propyl-pyrazol-3-yl] adamantane-1-carboxylate Openeye Name: [5-propyl-2-(p-tolyl)pyrazol-3-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(4-methylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-propylpyrazol-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-propyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C24H30N2O2 MolecularWeight: 378.5072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)C

InChI

InChI=1S/C24H30N2O2/c1-3-4-20-12-22(26(25-20)21-7-5-16(2)6-8-21)28-23(27)24-13-17-9-18(14-24)11-19(10-17)15-24/h5-8,12,17-19H,3-4,9-11,13-15H2,1-2H3