1-cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-8-ethynyl-6-fluoranyl-4H-quinoline-4-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-8-ethynyl-6-fluoranyl-4H-quinoline-4-carboxylic acid Openeye Name: 1-cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-8-ethynyl-6-fluoro-4H-quinoline-4-carboxylic acid CAS Name: 1-cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-8-ethynyl-6-fluoro-4H-quinoline-4-carboxylic acid IUPAC Name: 1-cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-8-ethynyl-6-fluoro-4H-quinoline-4-carboxylic acid Traditional Name: 1-cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-8-ethynyl-6-fluoro-4H-quinoline-4-carboxylic acid Formula: C20H20FN3O2 MolecularWeight: 353.390103

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C(=CC(=C1N3CC4CC3CN4)F)C(C=CN2C5CC5)C(=O)O

Isomeric SMILES

C#CC1=C2C(=CC(=C1N3CC4CC3CN4)F)C(C=CN2C5CC5)C(=O)O

InChI

InChI=1S/C20H20FN3O2/c1-2-14-18-16(15(20(25)26)5-6-23(18)12-3-4-12)8-17(21)19(14)24-10-11-7-13(24)9-22-11/h1,5-6,8,11-13,15,22H,3-4,7,9-10H2,(H,25,26)