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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(C)(C)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(C)(C)C)C(=O)[O-])C

InChI

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