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

Systemtic Name: 7-[3-[(2-cyanoethylamino)methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[(2-cyanoethylamino)methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[(2-cyanoethylamino)methyl]-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[(2-cyanoethylamino)methyl]-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[(2-cyanoethylamino)methyl]-3-methyl-pyrrolidino]-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(=C1N3CCC(C3)(C)CNCCC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

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

InChI

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