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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3/c1-3-13(4-2)18-16(21)11-23-17(22)15-10-14(19-20-15)12-8-6-5-7-9-12/h5-10,13H,3-4,11H2,1-2H3,(H,18,21)(H,19,20)