(4-chlorophenyl) 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: (4-chlorophenyl) 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: (4-chlorophenyl) 2-benzyl-5-tert-butyl-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-(phenylmethyl)-3-pyrazolecarboxylic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-benzyl-5-tert-butylpyrazole-3-carboxylate Traditional Name: 2-benzyl-5-tert-butyl-pyrazole-3-carboxylic acid (4-chlorophenyl) ester Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)OC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)OC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O2/c1-21(2,3)19-13-18(20(25)26-17-11-9-16(22)10-12-17)24(23-19)14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3