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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-methyl-3-(phenoxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(phenoxymethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(phenoxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(phenoxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-methyl-3-(phenoxymethyl)piperazino]quinoline-3-carboxylic acid Formula: C24H26FN3O4 MolecularWeight: 439.479343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)COC4=CC=CC=C4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)COC4=CC=CC=C4)C)F)C(=O)O

InChI

InChI=1S/C24H26FN3O4/c1-3-27-14-19(24(30)31)23(29)18-11-20(25)22(12-21(18)27)28-10-9-26(2)16(13-28)15-32-17-7-5-4-6-8-17/h4-8,11-12,14,16H,3,9-10,13,15H2,1-2H3,(H,30,31)