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

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C21H18BrN3O3 MolecularWeight: 440.28992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O3/c1-13(20(26)25-11-10-15-4-2-3-5-19(15)25)28-21(27)18-12-17(23-24-18)14-6-8-16(22)9-7-14/h2-9,12-13H,10-11H2,1H3,(H,23,24)