[5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] heptanoate

Systemtic Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] heptanoate Openeye Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] heptanoate CAS Name: heptanoic acid [5-tert-butyl-2-(3-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] heptanoate Traditional Name: enanthic acid [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] ester Formula: C20H27FN2O2 MolecularWeight: 346.438983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC(=NN1C2=CC(=CC=C2)F)C(C)(C)C

Isomeric SMILES

CCCCCCC(=O)OC1=CC(=NN1C2=CC(=CC=C2)F)C(C)(C)C

InChI

InChI=1S/C20H27FN2O2/c1-5-6-7-8-12-19(24)25-18-14-17(20(2,3)4)22-23(18)16-11-9-10-15(21)13-16/h9-11,13-14H,5-8,12H2,1-4H3