6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-[4-(1-oxopropyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(4-propanoylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-(4-propionylpiperazino)quinoline-3-carboxylic acid Formula: C23H21F2N3O4 MolecularWeight: 441.427346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C23H21F2N3O4/c1-2-21(29)27-9-7-26(8-10-27)20-12-19-16(11-18(20)25)22(30)17(23(31)32)13-28(19)15-5-3-14(24)4-6-15/h3-6,11-13H,2,7-10H2,1H3,(H,31,32)