tert-butyl 5-(4-methylphenyl)-3-phenyl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 5-(4-methylphenyl)-3-phenyl-pyrazole-1-carboxylate Openeye Name: tert-butyl 3-phenyl-5-(p-tolyl)pyrazole-1-carboxylate CAS Name: 5-(4-methylphenyl)-3-phenyl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4-methylphenyl)-3-phenylpyrazole-1-carboxylate Traditional Name: 3-phenyl-5-(p-tolyl)pyrazole-1-carboxylic acid tert-butyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-15-10-12-17(13-11-15)19-14-18(16-8-6-5-7-9-16)22-23(19)20(24)25-21(2,3)4/h5-14H,1-4H3