8-chloranyl-1-cyclopropyl-7-[3-(dimethylamino)azepan-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-7-[3-(dimethylamino)azepan-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-7-[3-(dimethylamino)azepan-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-7-[3-(dimethylamino)-1-azepanyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-7-[3-(dimethylamino)azepan-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-7-[3-(dimethylamino)azepan-1-yl]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H25ClFN3O3 MolecularWeight: 421.892903

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCCCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CN(C)C1CCCCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H25ClFN3O3/c1-24(2)13-5-3-4-8-25(10-13)19-16(23)9-14-18(17(19)22)26(12-6-7-12)11-15(20(14)27)21(28)29/h9,11-13H,3-8,10H2,1-2H3,(H,28,29)