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

Systemtic Name: ethyl 4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(3-furylmethyl)-2-oxo-quinoline-3-carboxylate CAS Name: 1-(3-furanylmethyl)-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate Traditional Name: 1-(3-furfuryl)-4-[4-(2-furoyl)piperazino]-2-keto-quinoline-3-carboxylic acid ethyl ester Formula: C26H25N3O6 MolecularWeight: 475.4932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=COC=C3)N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=COC=C3)N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C26H25N3O6/c1-2-34-26(32)22-23(27-10-12-28(13-11-27)24(30)21-8-5-14-35-21)19-6-3-4-7-20(19)29(25(22)31)16-18-9-15-33-17-18/h3-9,14-15,17H,2,10-13,16H2,1H3