7-[(4E)-4-(2-azanyl-1-fluoranyl-ethylidene)azepan-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(4E)-4-(2-azanyl-1-fluoranyl-ethylidene)azepan-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4E)-4-(2-amino-1-fluoro-ethylidene)azepan-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(4E)-4-(2-amino-1-fluoroethylidene)-1-azepanyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4E)-4-(2-amino-1-fluoroethylidene)azepan-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(4E)-4-(2-amino-1-fluoro-ethylidene)azepan-1-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H25F2N3O4 MolecularWeight: 433.448406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCCC(=C(CN)F)CC3)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC/C(=C(/CN)\F)/CC3)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C22H25F2N3O4/c1-31-21-18-14(20(28)15(22(29)30)11-27(18)13-4-5-13)9-16(23)19(21)26-7-2-3-12(6-8-26)17(24)10-25/h9,11,13H,2-8,10,25H2,1H3,(H,29,30)/b17-12+