1-(4-azanyl-2-fluoranyl-phenyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(4-azanyl-2-fluoranyl-phenyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(4-amino-2-fluoro-phenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(4-amino-2-fluorophenyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(4-amino-2-fluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(4-amino-2-fluoro-phenyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C20H18F2N4O3 MolecularWeight: 400.378726

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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=C(C=C(C=C4)N)F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H18F2N4O3/c21-14-7-11(23)1-2-16(14)26-10-13(20(28)29)19(27)12-8-15(22)18(9-17(12)26)25-5-3-24-4-6-25/h1-2,7-10,24H,3-6,23H2,(H,28,29)