5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3,3,5-trimethylazepan-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3,3,5-trimethylazepan-1-yl)quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(3,3,5-trimethylazepan-1-yl)quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(3,3,5-trimethyl-1-azepanyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(3,3,5-trimethylazepan-1-yl)quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(3,3,5-trimethylazepan-1-yl)quinoline-3-carboxylic acid Formula: C22H27F2N3O3 MolecularWeight: 419.464886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C22H27F2N3O3/c1-11-6-7-26(10-22(2,3)8-11)19-15(23)17(25)14-18(16(19)24)27(12-4-5-12)9-13(20(14)28)21(29)30/h9,11-12H,4-8,10,25H2,1-3H3,(H,29,30)