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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[3-(phenoxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(phenoxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(phenoxymethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(phenoxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(phenoxymethyl)piperazino]quinoline-3-carboxylic acid Formula: C23H24FN3O4 MolecularWeight: 425.452763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)COC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)COC4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C23H24FN3O4/c1-2-26-13-18(23(29)30)22(28)17-10-19(24)21(11-20(17)26)27-9-8-25-15(12-27)14-31-16-6-4-3-5-7-16/h3-7,10-11,13,15,25H,2,8-9,12,14H2,1H3,(H,29,30)