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

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-(3-thiophen-3-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-[3-(3-thienyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-[3-(3-thiophenyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(3-thiophen-3-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-[3-(3-thienyl)piperazino]quinoline-3-carboxylic acid Formula: C24H19F2N3O3S MolecularWeight: 467.487766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CSC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)F)F

Isomeric SMILES

C1CN(CC(N1)C2=CSC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)F)F

InChI

InChI=1S/C24H19F2N3O3S/c25-15-1-3-16(4-2-15)29-11-18(24(31)32)23(30)17-9-19(26)22(10-21(17)29)28-7-6-27-20(12-28)14-5-8-33-13-14/h1-5,8-11,13,20,27H,6-7,12H2,(H,31,32)