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

Systemtic Name: 7-[(4E)-4-(2-azanyl-1-fluoranyl-ethylidene)-3-methyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4E)-4-(2-amino-1-fluoro-ethylidene)-3-methyl-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(4E)-4-(2-amino-1-fluoroethylidene)-3-methyl-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4E)-4-(2-amino-1-fluoroethylidene)-3-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(4E)-4-(2-amino-1-fluoro-ethylidene)-3-methyl-piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H25F2N3O4 MolecularWeight: 433.448406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1=C(CN)F)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC\1CN(CC/C1=C(/CN)\F)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C22H25F2N3O4/c1-11-9-26(6-5-13(11)17(24)8-25)19-16(23)7-14-18(21(19)31-2)27(12-3-4-12)10-15(20(14)28)22(29)30/h7,10-12H,3-6,8-9,25H2,1-2H3,(H,29,30)/b17-13+