[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H17BrFN3O3 MolecularWeight: 446.269683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C20H17BrFN3O3/c21-15-5-3-14(4-6-15)17-11-18(25-24-17)20(27)28-12-19(26)23-10-9-13-1-7-16(22)8-2-13/h1-8,11H,9-10,12H2,(H,23,26)(H,24,25)