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

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C21H19F2N3O3/c1-12-10-25(7-6-24-12)19-9-18-15(8-17(19)23)20(27)16(21(28)29)11-26(18)14-4-2-13(22)3-5-14/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,28,29)