1-(4-tert-butylphenyl)-5-phenyl-pyrazole-3-carboxylate

Systemtic Name: 1-(4-tert-butylphenyl)-5-phenyl-pyrazole-3-carboxylate Openeye Name: 1-(4-tert-butylphenyl)-5-phenyl-pyrazole-3-carboxylate CAS Name: 1-(4-tert-butylphenyl)-5-phenyl-3-pyrazolecarboxylate IUPAC Name: 1-(4-tert-butylphenyl)-5-phenylpyrazole-3-carboxylate Traditional Name: 1-(4-tert-butylphenyl)-5-phenyl-pyrazole-3-carboxylate Formula: C20H19N2O2- MolecularWeight: 319.37706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2/c1-20(2,3)15-9-11-16(12-10-15)22-18(13-17(21-22)19(23)24)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,24)/p-1