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

Systemtic Name: 7-[3-[3-(2-cyanoethylamino)propyl]azetidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[3-(2-cyanoethylamino)propyl]azetidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[3-(2-cyanoethylamino)propyl]-1-azetidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[3-(2-cyanoethylamino)propyl]azetidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[3-(2-cyanoethylamino)propyl]azetidin-1-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C23H27FN4O3 MolecularWeight: 426.483883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CC(C3)CCCNCCC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CC(C3)CCCNCCC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C23H27FN4O3/c1-14-20-17(22(29)18(23(30)31)13-28(20)16-5-6-16)10-19(24)21(14)27-11-15(12-27)4-2-8-26-9-3-7-25/h10,13,15-16,26H,2-6,8-9,11-12H2,1H3,(H,30,31)