[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C27H22BrN3O5 MolecularWeight: 548.38468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C(=O)C5=CC=CO5

InChI

InChI=1S/C27H22BrN3O5/c28-19-6-3-5-18(15-19)23-16-21(20-7-1-2-8-22(20)29-23)27(34)36-17-25(32)30-10-12-31(13-11-30)26(33)24-9-4-14-35-24/h1-9,14-16H,10-13,17H2