(2,4-diethylphenyl) 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate

Systemtic Name: (2,4-diethylphenyl) 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate Openeye Name: (2,4-diethylphenyl) 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxylic acid (2,4-diethylphenyl) ester IUPAC Name: (2,4-diethylphenyl) 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-2-(4-fluorobenzyl)pyrazole-3-carboxylic acid (2,4-diethylphenyl) ester Formula: C25H29FN2O2 MolecularWeight: 408.508363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(=O)C2=CC(=NN2CC3=CC=C(C=C3)F)C(C)(C)C)CC

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(=O)C2=CC(=NN2CC3=CC=C(C=C3)F)C(C)(C)C)CC

InChI

InChI=1S/C25H29FN2O2/c1-6-17-10-13-22(19(7-2)14-17)30-24(29)21-15-23(25(3,4)5)27-28(21)16-18-8-11-20(26)12-9-18/h8-15H,6-7,16H2,1-5H3