1-ethyl-6-fluoranyl-4-oxidanylidene-3-piperazin-1-yl-7-pyridin-4-yl-2H-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-3-piperazin-1-yl-7-pyridin-4-yl-2H-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-3-piperazin-1-yl-7-(4-pyridyl)-2H-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-3-(1-piperazinyl)-7-pyridin-4-yl-2H-quinoline-3-carboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-3-piperazin-1-yl-7-pyridin-4-yl-2H-quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-3-piperazino-7-(4-pyridyl)-2H-quinoline-3-carboxylic acid Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(=O)C2=C1C=C(C(=C2)F)C3=CC=NC=C3)(C(=O)O)N4CCNCC4

Isomeric SMILES

CCN1CC(C(=O)C2=C1C=C(C(=C2)F)C3=CC=NC=C3)(C(=O)O)N4CCNCC4

InChI

InChI=1S/C21H23FN4O3/c1-2-25-13-21(20(28)29,26-9-7-24-8-10-26)19(27)16-11-17(22)15(12-18(16)25)14-3-5-23-6-4-14/h3-6,11-12,24H,2,7-10,13H2,1H3,(H,28,29)