[2-oxidanylidene-2-[[2-(propan-2-ylcarbamoyl)phenyl]amino]ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(propan-2-ylcarbamoyl)phenyl]amino]ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[2-(isopropylcarbamoyl)anilino]-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-[2-[oxo-(propan-2-ylamino)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[2-(isopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H21BrN4O4 MolecularWeight: 485.33054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN4O4/c1-13(2)24-21(29)16-5-3-4-6-17(16)25-20(28)12-31-22(30)19-11-18(26-27-19)14-7-9-15(23)10-8-14/h3-11,13H,12H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)