[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C19H25N3O3/c1-5-15(6-2)20-17(23)12-25-19(24)18-13(3)21-22(14(18)4)16-10-8-7-9-11-16/h7-11,15H,5-6,12H2,1-4H3,(H,20,23)