[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O3/c1-14(20(26)23-12-11-15-5-3-2-4-6-15)28-21(27)19-13-18(24-25-19)16-7-9-17(22)10-8-16/h2-10,13-14H,11-12H2,1H3,(H,23,26)(H,24,25)