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

Systemtic Name: 7-[2-[(2-cyanoethylamino)methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-[(2-cyanoethylamino)methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-[(2-cyanoethylamino)methyl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-[(2-cyanoethylamino)methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-[(2-cyanoethylamino)methyl]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCCC3CNCCC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCCC3CNCCC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C22H25FN4O4/c1-31-21-18-15(20(28)16(22(29)30)12-27(18)13-5-6-13)10-17(23)19(21)26-9-2-4-14(26)11-25-8-3-7-24/h10,12-14,25H,2-6,8-9,11H2,1H3,(H,29,30)