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

Systemtic Name: 7-[(6E)-6-(2-azanyl-1-fluoranyl-ethylidene)-1,4-oxazepan-4-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(6E)-6-(2-amino-1-fluoro-ethylidene)-1,4-oxazepan-4-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(6E)-6-(2-amino-1-fluoroethylidene)-1,4-oxazepan-4-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(6E)-6-(2-amino-1-fluoroethylidene)-1,4-oxazepan-4-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(6E)-6-(2-amino-1-fluoro-ethylidene)-1,4-oxazepan-4-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H23F2N3O5 MolecularWeight: 435.421226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCOCC(=C(CN)F)C3)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCOC/C(=C(\CN)/F)/C3)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C21H23F2N3O5/c1-30-20-17-13(19(27)14(21(28)29)9-26(17)12-2-3-12)6-15(22)18(20)25-4-5-31-10-11(8-25)16(23)7-24/h6,9,12H,2-5,7-8,10,24H2,1H3,(H,28,29)/b16-11+