1-(4-ethanoylphenyl)-6-fluoranyl-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(4-ethanoylphenyl)-6-fluoranyl-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(4-acetylphenyl)-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(4-acetylphenyl)-6-fluoro-8-methoxy-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(4-acetylphenyl)-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(4-acetylphenyl)-6-fluoro-4-keto-8-methoxy-7-piperazino-quinoline-3-carboxylic acid Formula: C23H22FN3O5 MolecularWeight: 439.436283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)OC)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)OC)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C23H22FN3O5/c1-13(28)14-3-5-15(6-4-14)27-12-17(23(30)31)21(29)16-11-18(24)20(22(32-2)19(16)27)26-9-7-25-8-10-26/h3-6,11-12,25H,7-10H2,1-2H3,(H,30,31)