[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C18H19BrFN3O3 MolecularWeight: 424.264163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC(=CN3)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C18H19BrFN3O3/c19-14-9-16(21-10-14)18(25)26-12-17(24)23-7-5-22(6-8-23)11-13-3-1-2-4-15(13)20/h1-4,9-10,21H,5-8,11-12H2