1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-phenylazanylazetidin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-phenylazanylazetidin-1-yl)quinoline-3-carboxylic acid Openeye Name: 7-(3-anilinoazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-anilino-1-azetidinyl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-anilinoazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-anilinoazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H19F2N3O3 MolecularWeight: 411.401366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CC(C4)NC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CC(C4)NC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C22H19F2N3O3/c23-17-8-15-19(27(14-6-7-14)11-16(21(15)28)22(29)30)18(24)20(17)26-9-13(10-26)25-12-4-2-1-3-5-12/h1-5,8,11,13-14,25H,6-7,9-10H2,(H,29,30)