ethyl 2-[[7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]benzoate CAS Name: 2-[[[7-(4-acetyl-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]benzoate Traditional Name: 2-[[7-(4-acetylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carbonyl]amino]benzoic acid ethyl ester Formula: C27H29FN4O5 MolecularWeight: 508.541363

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)NC4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)NC4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C27H29FN4O5/c1-4-30-16-20(26(35)29-22-9-7-6-8-18(22)27(36)37-5-2)25(34)19-14-21(28)24(15-23(19)30)32-12-10-31(11-13-32)17(3)33/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,29,35)