1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-4-oxo-7-[3-(4-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-4-oxo-7-(3-pyridin-4-yl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-4-oxo-7-(3-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-[3-(4-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C21H20F2N4O3 MolecularWeight: 414.405306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F2N4O3/c1-2-26-10-14(21(29)30)20(28)13-9-15(22)19(17(23)18(13)26)27-8-7-25-16(11-27)12-3-5-24-6-4-12/h3-6,9-10,16,25H,2,7-8,11H2,1H3,(H,29,30)