[2-(3-fluorophenyl)-5-propyl-pyrazol-3-yl] 4-ethylbenzoate

Systemtic Name: [2-(3-fluorophenyl)-5-propyl-pyrazol-3-yl] 4-ethylbenzoate Openeye Name: [2-(3-fluorophenyl)-5-propyl-pyrazol-3-yl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-(3-fluorophenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(3-fluorophenyl)-5-propylpyrazol-3-yl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-(3-fluorophenyl)-5-propyl-pyrazol-3-yl] ester Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)CC)C3=CC(=CC=C3)F

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)CC)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN2O2/c1-3-6-18-14-20(24(23-18)19-8-5-7-17(22)13-19)26-21(25)16-11-9-15(4-2)10-12-16/h5,7-14H,3-4,6H2,1-2H3