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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC(C3)CN(C)CCC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC(C3)CN(C)CCC#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)16-4-5-16)10-19(24)21(14)27-9-6-15(12-27)11-26(2)8-3-7-25/h10,13,15-16H,3-6,8-9,11-12H2,1-2H3,(H,30,31)