[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H23N3O3/c1-4-5-13(3)19-17(22)11-24-18(23)16-10-15(20-21-16)14-8-6-12(2)7-9-14/h6-10,13H,4-5,11H2,1-3H3,(H,19,22)(H,20,21)