6-fluoranyl-1-(4-fluorophenyl)-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-8-methoxy-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-8-methoxy-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-8-methoxy-7-piperazino-quinoline-3-carboxylic acid Formula: C21H19F2N3O4 MolecularWeight: 415.390066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C21H19F2N3O4/c1-30-20-17-14(10-16(23)18(20)25-8-6-24-7-9-25)19(27)15(21(28)29)11-26(17)13-4-2-12(22)3-5-13/h2-5,10-11,24H,6-9H2,1H3,(H,28,29)