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

Systemtic Name: methyl 4-[[7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]benzoate CAS Name: 4-[[[7-(4-acetyl-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]benzoate Traditional Name: 4-[[7-(4-acetylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carbonyl]amino]benzoic acid methyl ester Formula: C26H27FN4O5 MolecularWeight: 494.514783

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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=C(C=C4)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H27FN4O5/c1-4-29-15-20(25(34)28-18-7-5-17(6-8-18)26(35)36-3)24(33)19-13-21(27)23(14-22(19)29)31-11-9-30(10-12-31)16(2)32/h5-8,13-15H,4,9-12H2,1-3H3,(H,28,34)