[2-(4-chlorophenyl)-5-ethyl-pyrazol-3-yl] 4-tert-butylbenzoate

Systemtic Name: [2-(4-chlorophenyl)-5-ethyl-pyrazol-3-yl] 4-tert-butylbenzoate Openeye Name: [2-(4-chlorophenyl)-5-ethyl-pyrazol-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(4-chlorophenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-ethylpyrazol-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(4-chlorophenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O2/c1-5-18-14-20(25(24-18)19-12-10-17(23)11-13-19)27-21(26)15-6-8-16(9-7-15)22(2,3)4/h6-14H,5H2,1-4H3