5-(4-tert-butylphenyl)-1-(3,5-dimethylphenyl)pyrazole-3-carboxylate

Systemtic Name: 5-(4-tert-butylphenyl)-1-(3,5-dimethylphenyl)pyrazole-3-carboxylate Openeye Name: 5-(4-tert-butylphenyl)-1-(3,5-dimethylphenyl)pyrazole-3-carboxylate CAS Name: 5-(4-tert-butylphenyl)-1-(3,5-dimethylphenyl)-3-pyrazolecarboxylate IUPAC Name: 5-(4-tert-butylphenyl)-1-(3,5-dimethylphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-tert-butylphenyl)-1-(3,5-dimethylphenyl)pyrazole-3-carboxylate Formula: C22H23N2O2- MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=CC(=N2)C(=O)[O-])C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=CC(=N2)C(=O)[O-])C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C22H24N2O2/c1-14-10-15(2)12-18(11-14)24-20(13-19(23-24)21(25)26)16-6-8-17(9-7-16)22(3,4)5/h6-13H,1-5H3,(H,25,26)/p-1