1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-3-piperazin-1-yl-7-pyridin-2-yl-2H-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-3-piperazin-1-yl-7-pyridin-2-yl-2H-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-4-oxo-3-piperazin-1-yl-7-(2-pyridyl)-2H-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-4-oxo-3-(1-piperazinyl)-7-(2-pyridinyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-4-oxo-3-piperazin-1-yl-7-pyridin-2-yl-2H-quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-3-piperazino-7-(2-pyridyl)-2H-quinoline-3-carboxylic acid Formula: C21H22F2N4O3 MolecularWeight: 416.421186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(=O)C2=CC(=C(C(=C21)F)C3=CC=CC=N3)F)(C(=O)O)N4CCNCC4

Isomeric SMILES

CCN1CC(C(=O)C2=CC(=C(C(=C21)F)C3=CC=CC=N3)F)(C(=O)O)N4CCNCC4

InChI

InChI=1S/C21H22F2N4O3/c1-2-26-12-21(20(29)30,27-9-7-24-8-10-27)19(28)13-11-14(22)16(17(23)18(13)26)15-5-3-4-6-25-15/h3-6,11,24H,2,7-10,12H2,1H3,(H,29,30)