[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3/c1-4-19(5-2)25-22(28)16-30-24(29)21-15-27(20-9-7-6-8-10-20)26-23(21)18-13-11-17(3)12-14-18/h6-15,19H,4-5,16H2,1-3H3,(H,25,28)