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

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-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-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C26H22N4O5 MolecularWeight: 470.47668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O5/c31-24(29-10-12-30(13-11-29)25(32)23-8-4-14-34-23)17-35-26(33)20-15-22(18-5-3-9-27-16-18)28-21-7-2-1-6-19(20)21/h1-9,14-16H,10-13,17H2