3-oxidanylidenebutan-2-yl 3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1-benzyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(p-tolyl)pyrazole-4-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC(C)C(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC(C)C(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-15-9-11-19(12-10-15)21-20(22(26)27-17(3)16(2)25)14-24(23-21)13-18-7-5-4-6-8-18/h4-12,14,17H,13H2,1-3H3