1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(8-oxidanylquinolin-2-yl)methyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(8-oxidanylquinolin-2-yl)methyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(8-hydroxy-2-quinolyl)methyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(8-hydroxy-2-quinolinyl)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(8-hydroxyquinolin-2-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-[(8-hydroxy-2-quinolyl)methyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C26H25FN4O4 MolecularWeight: 476.499503

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=NC5=C(C=CC=C5O)C=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=NC5=C(C=CC=C5O)C=C4)F)C(=O)O

InChI

InChI=1S/C26H25FN4O4/c1-2-30-15-19(26(34)35)25(33)18-12-20(27)22(13-21(18)30)31-10-8-29(9-11-31)14-17-7-6-16-4-3-5-23(32)24(16)28-17/h3-7,12-13,15,32H,2,8-11,14H2,1H3,(H,34,35)