1-ethyl-6-fluoranyl-7-[4-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[2-(4-fluorophenyl)-2-oxo-ethyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[2-(4-fluorophenyl)-2-oxoethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-[2-(4-fluorophenyl)-2-keto-ethyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C24H23F2N3O4 MolecularWeight: 455.453926

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=O)C4=CC=C(C=C4)F)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=O)C4=CC=C(C=C4)F)F)C(=O)O

InChI

InChI=1S/C24H23F2N3O4/c1-2-28-13-18(24(32)33)23(31)17-11-19(26)21(12-20(17)28)29-9-7-27(8-10-29)14-22(30)15-3-5-16(25)6-4-15/h3-6,11-13H,2,7-10,14H2,1H3,(H,32,33)