7-[4-(2-azanyl-1-cyano-ethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2-azanyl-1-cyano-ethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-amino-1-cyano-ethylidene)-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-1-cyanoethylidene)-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-amino-1-cyanoethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-amino-1-cyano-ethylidene)piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H23FN4O4 MolecularWeight: 426.440823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC(=C(CN)C#N)CC3)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC(=C(CN)C#N)CC3)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C22H23FN4O4/c1-31-21-18-15(20(28)16(22(29)30)11-27(18)14-2-3-14)8-17(23)19(21)26-6-4-12(5-7-26)13(9-24)10-25/h8,11,14H,2-7,9,24H2,1H3,(H,29,30)