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

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H19BrFN3O3 MolecularWeight: 460.296263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrFN3O3/c1-12(14-5-9-17(23)10-6-14)24-20(27)13(2)29-21(28)19-11-18(25-26-19)15-3-7-16(22)8-4-15/h3-13H,1-2H3,(H,24,27)(H,25,26)