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

Systemtic Name: 6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1-quinolin-6-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-7-piperazin-1-yl-1-(6-quinolyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-7-(1-piperazinyl)-1-(6-quinolinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-4-oxo-7-piperazin-1-yl-1-quinolin-6-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-piperazino-1-(6-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=C(C=C4)N=CC=C5)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=C(C=C4)N=CC=C5)F

InChI

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