[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 1-benzyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-16(2)24-21(27)15-29-23(28)20-14-26(13-18-7-5-4-6-8-18)25-22(20)19-11-9-17(3)10-12-19/h4-12,14,16H,13,15H2,1-3H3,(H,24,27)