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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-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=C(N(N=C1)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-4-8-13(2)20-17(22)12-24-18(23)16-11-19-21(14(16)3)15-9-6-5-7-10-15/h5-7,9-11,13H,4,8,12H2,1-3H3,(H,20,22)