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

Systemtic Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] adamantane-1-carboxylate Openeye Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [5-ethyl-2-(4-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] ester Formula: C22H25FN2O2 MolecularWeight: 368.444503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O2/c1-2-18-10-20(25(24-18)19-5-3-17(23)4-6-19)27-21(26)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,10,14-16H,2,7-9,11-13H2,1H3