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

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[4-(2-oxidanylidenepropyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-acetonylpiperazin-1-yl)-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-4-oxo-7-[4-(2-oxopropyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-4-oxo-7-[4-(2-oxopropyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 7-(4-acetonylpiperazino)-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H21F2N3O4 MolecularWeight: 393.384546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3)CC(=O)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3)CC(=O)C)F)C(=O)O

InChI

InChI=1S/C19H21F2N3O4/c1-3-23-10-13(19(27)28)18(26)12-8-14(20)17(15(21)16(12)23)24-6-4-22(5-7-24)9-11(2)25/h8,10H,3-7,9H2,1-2H3,(H,27,28)