6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1-quinolin-3-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1-quinolin-3-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-7-piperazin-1-yl-1-(3-quinolyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-7-(1-piperazinyl)-1-(3-quinolinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-4-oxo-7-piperazin-1-yl-1-quinolin-3-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-piperazino-1-(3-quinolyl)quinoline-3-carboxylic acid Formula: C23H19FN4O3 MolecularWeight: 418.420363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5N=C4)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5N=C4)F

InChI

InChI=1S/C23H19FN4O3/c24-18-10-16-20(11-21(18)27-7-5-25-6-8-27)28(13-17(22(16)29)23(30)31)15-9-14-3-1-2-4-19(14)26-12-15/h1-4,9-13,25H,5-8H2,(H,30,31)