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

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-[3-(phenoxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-[3-(phenoxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-[3-(phenoxymethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-[3-(phenoxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-[3-(phenoxymethyl)piperazino]quinoline-3-carboxylic acid Formula: C27H23F2N3O4 MolecularWeight: 491.486026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)COC2=CC=CC=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)COC2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)F)F

InChI

InChI=1S/C27H23F2N3O4/c28-17-6-8-19(9-7-17)32-15-22(27(34)35)26(33)21-12-23(29)25(13-24(21)32)31-11-10-30-18(14-31)16-36-20-4-2-1-3-5-20/h1-9,12-13,15,18,30H,10-11,14,16H2,(H,34,35)