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

Systemtic Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[1-(2-cyanoethylamino)cyclopropyl]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C24H27FN4O4 MolecularWeight: 454.493983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC(C3)C4(CC4)NCCC#N)F)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC(C3)C4(CC4)NCCC#N)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C24H27FN4O4/c1-33-22-19-16(21(30)17(23(31)32)13-29(19)15-3-4-15)11-18(25)20(22)28-10-5-14(12-28)24(6-7-24)27-9-2-8-26/h11,13-15,27H,2-7,9-10,12H2,1H3,(H,31,32)