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

Systemtic Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]azetidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]azetidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]-1-azetidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]azetidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]azetidin-1-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(=C1N3CC(C3)C4(CC4)NCCC#N)F)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CC(C3)C4(CC4)NCCC#N)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

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