7-(3-azanylazepan-1-yl)-8-chloranyl-6-fluoranyl-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylazepan-1-yl)-8-chloranyl-6-fluoranyl-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminoazepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-azepanyl)-8-chloro-6-fluoro-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminoazepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminoazepan-1-yl)-8-chloro-6-fluoro-4-keto-1-methyl-quinoline-3-carboxylic acid Formula: C17H19ClFN3O3 MolecularWeight: 367.802463

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C(=C21)Cl)N3CCCCC(C3)N)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C(=C21)Cl)N3CCCCC(C3)N)F)C(=O)O

InChI

InChI=1S/C17H19ClFN3O3/c1-21-8-11(17(24)25)16(23)10-6-12(19)15(13(18)14(10)21)22-5-3-2-4-9(20)7-22/h6,8-9H,2-5,7,20H2,1H3,(H,24,25)