[2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] adamantane-1-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] adamantane-1-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(2,4-dimethylphenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-ethylpyrazol-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C24H30N2O2 MolecularWeight: 378.5072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C5=C(C=C(C=C5)C)C

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C5=C(C=C(C=C5)C)C

InChI

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