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

Systemtic Name: phenyl 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate Openeye Name: phenyl 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxylic acid phenyl ester IUPAC Name: phenyl 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-2-(4-fluorobenzyl)pyrazole-3-carboxylic acid phenyl ester Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)OC2=CC=CC=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)OC2=CC=CC=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O2/c1-21(2,3)19-13-18(20(25)26-17-7-5-4-6-8-17)24(23-19)14-15-9-11-16(22)12-10-15/h4-13H,14H2,1-3H3