7-[2-(2-cyanoethylamino)-6-azaspiro[2.4]heptan-6-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(2-cyanoethylamino)-6-azaspiro[2.4]heptan-6-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(2-cyanoethylamino)-6-azaspiro[2.4]heptan-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(2-cyanoethylamino)-6-azaspiro[2.4]heptan-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(2-cyanoethylamino)-6-azaspiro[2.4]heptan-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(2-cyanoethylamino)-6-azaspiro[2.4]heptan-6-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C23H25FN4O4 MolecularWeight: 440.467403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC4(C3)CC4NCCC#N)F)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC4(C3)CC4NCCC#N)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C23H25FN4O4/c1-32-21-18-14(20(29)15(22(30)31)11-28(18)13-3-4-13)9-16(24)19(21)27-8-5-23(12-27)10-17(23)26-7-2-6-25/h9,11,13,17,26H,2-5,7-8,10,12H2,1H3,(H,30,31)