ethyl 6-chloranyl-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-quinoline-3-carboxylate CAS Name: 6-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate Traditional Name: 1-benzyl-6-chloro-4-[4-(2-furoyl)piperazino]-2-keto-quinoline-3-carboxylic acid ethyl ester Formula: C28H26ClN3O5 MolecularWeight: 519.97614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C28H26ClN3O5/c1-2-36-28(35)24-25(30-12-14-31(15-13-30)26(33)23-9-6-16-37-23)21-17-20(29)10-11-22(21)32(27(24)34)18-19-7-4-3-5-8-19/h3-11,16-17H,2,12-15,18H2,1H3