6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-3-(2-thiophen-3-ylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-3-(2-thiophen-3-ylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-3-[2-(3-thienyl)piperazin-1-yl]-2H-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-3-[2-(3-thiophenyl)-1-piperazinyl]-2H-quinoline-3-carboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-3-(2-thiophen-3-ylpiperazin-1-yl)-2H-quinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-3-[2-(3-thienyl)piperazino]-2H-quinoline-3-carboxylic acid Formula: C24H21F2N3O3S MolecularWeight: 469.503646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=CSC=C2)C3(CN(C4=C(C3=O)C=C(C=C4)F)C5=CC=C(C=C5)F)C(=O)O

Isomeric SMILES

C1CN(C(CN1)C2=CSC=C2)C3(CN(C4=C(C3=O)C=C(C=C4)F)C5=CC=C(C=C5)F)C(=O)O

InChI

InChI=1S/C24H21F2N3O3S/c25-16-1-4-18(5-2-16)28-14-24(23(31)32,22(30)19-11-17(26)3-6-20(19)28)29-9-8-27-12-21(29)15-7-10-33-13-15/h1-7,10-11,13,21,27H,8-9,12,14H2,(H,31,32)