ethyl 1-[[2-[(3-ethoxycarbonyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-1-yl)methyl]phenyl]methyl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-[[2-[(3-ethoxycarbonyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-1-yl)methyl]phenyl]methyl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-[[2-[(3-ethoxycarbonyl-6-fluoro-4-oxo-7-piperazin-1-yl-1-quinolyl)methyl]phenyl]methyl]-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 1-[[2-[[3-ethoxycarbonyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1-quinolinyl]methyl]phenyl]methyl]-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-[(3-ethoxycarbonyl-6-fluoro-4-oxo-7-piperazin-1-ylquinolin-1-yl)methyl]phenyl]methyl]-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-[2-[(3-carbethoxy-6-fluoro-4-keto-7-piperazino-1-quinolyl)methyl]benzyl]-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C40H42F2N6O6 MolecularWeight: 740.794886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)CC4=CC=CC=C4CN5C=C(C(=O)C6=CC(=C(C=C65)N7CCNCC7)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)CC4=CC=CC=C4CN5C=C(C(=O)C6=CC(=C(C=C65)N7CCNCC7)F)C(=O)OCC

InChI

InChI=1S/C40H42F2N6O6/c1-3-53-39(51)29-23-47(33-19-35(45-13-9-43-10-14-45)31(41)17-27(33)37(29)49)21-25-7-5-6-8-26(25)22-48-24-30(40(52)54-4-2)38(50)28-18-32(42)36(20-34(28)48)46-15-11-44-12-16-46/h5-8,17-20,23-24,43-44H,3-4,9-16,21-22H2,1-2H3