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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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