8-chloranyl-1-ethyl-6-fluoranyl-5-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-ethyl-6-fluoranyl-5-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-ethyl-6-fluoro-5-methyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-ethyl-6-fluoro-5-methyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-ethyl-6-fluoro-5-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-ethyl-6-fluoro-4-keto-5-methyl-7-piperazino-quinoline-3-carboxylic acid Formula: C17H19ClFN3O3 MolecularWeight: 367.802463

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C(C(=C(C(=C21)Cl)N3CCNCC3)F)C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C(C(=C(C(=C21)Cl)N3CCNCC3)F)C)C(=O)O

InChI

InChI=1S/C17H19ClFN3O3/c1-3-21-8-10(17(24)25)16(23)11-9(2)13(19)15(12(18)14(11)21)22-6-4-20-5-7-22/h8,20H,3-7H2,1-2H3,(H,24,25)