6-chloranyl-1-cyclopropyl-8-fluoranyl-4-oxidanylidene-7-[4-(2-oxidanylidenepropyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-cyclopropyl-8-fluoranyl-4-oxidanylidene-7-[4-(2-oxidanylidenepropyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-acetonylpiperazin-1-yl)-6-chloro-1-cyclopropyl-8-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-chloro-1-cyclopropyl-8-fluoro-4-oxo-7-[4-(2-oxopropyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-cyclopropyl-8-fluoro-4-oxo-7-[4-(2-oxopropyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 7-(4-acetonylpiperazino)-6-chloro-1-cyclopropyl-8-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H21ClFN3O4 MolecularWeight: 421.849843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)Cl

Isomeric SMILES

CC(=O)CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)Cl

InChI

InChI=1S/C20H21ClFN3O4/c1-11(26)9-23-4-6-24(7-5-23)18-15(21)8-13-17(16(18)22)25(12-2-3-12)10-14(19(13)27)20(28)29/h8,10,12H,2-7,9H2,1H3,(H,28,29)