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

Systemtic Name: 7-(azepan-1-yl)-8-chloranyl-6-fluoranyl-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(1-azepanyl)-8-chloro-6-fluoro-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(azepan-1-yl)-8-chloro-6-fluoro-4-keto-1-methyl-quinoline-3-carboxylic acid Formula: C17H18ClFN2O3 MolecularWeight: 352.787823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C(=C21)Cl)N3CCCCCC3)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C(=C21)Cl)N3CCCCCC3)F)C(=O)O

InChI

InChI=1S/C17H18ClFN2O3/c1-20-9-11(17(23)24)16(22)10-8-12(19)15(13(18)14(10)20)21-6-4-2-3-5-7-21/h8-9H,2-7H2,1H3,(H,23,24)