1-ethyl-6-fluoranyl-4-oxidanylidene-7-(3-pyridin-3-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(3-pyridin-3-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(3-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(3-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(3-pyridin-3-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(3-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O3/c1-2-25-11-15(21(28)29)20(27)14-8-16(22)19(9-18(14)25)26-7-6-24-17(12-26)13-4-3-5-23-10-13/h3-5,8-11,17,24H,2,6-7,12H2,1H3,(H,28,29)