1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(2-phenoxyethanoyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(2-phenoxyethanoyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(2-phenoxyacetyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(2-phenoxyacetyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(2-phenoxyacetyl)piperazino]quinoline-3-carboxylic acid Formula: C24H24FN3O5 MolecularWeight: 453.462863

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)COC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)COC4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C24H24FN3O5/c1-2-26-14-18(24(31)32)23(30)17-12-19(25)21(13-20(17)26)27-8-10-28(11-9-27)22(29)15-33-16-6-4-3-5-7-16/h3-7,12-14H,2,8-11,15H2,1H3,(H,31,32)