[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H24N4O4/c1-23(2,3)25-22(30)24-20(28)15-31-21(29)19-14-18(16-10-6-4-7-11-16)26-27(19)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H2,24,25,28,30)