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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)CC3=CC=CC=C3

InChI

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