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

Systemtic Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]azetidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]azetidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]-1-azetidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]azetidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]azetidin-1-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C23H25FN4O3 MolecularWeight: 424.468003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CC(C3)C4(CC4)NCCC#N)F)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CC(C3)C4(CC4)NCCC#N)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C23H25FN4O3/c1-13-19-16(21(29)17(22(30)31)12-28(19)15-3-4-15)9-18(24)20(13)27-10-14(11-27)23(5-6-23)26-8-2-7-25/h9,12,14-15,26H,2-6,8,10-11H2,1H3,(H,30,31)