1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-4-oxo-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-4-oxo-7-(4-phenacyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-4-oxo-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(4-phenacylpiperazino)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)F)N3CCN(CC3)CC(=O)C4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

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

InChI

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