6-fluoranyl-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]-1-prop-2-enyl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]-1-prop-2-enyl-quinoline-3-carboxylic acid Openeye Name: 1-allyl-7-(4-benzylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-7-[4-(phenylmethyl)-1-piperazinyl]-1-prop-2-enyl-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzylpiperazin-1-yl)-6-fluoro-4-oxo-1-prop-2-enylquinoline-3-carboxylic acid Traditional Name: 1-allyl-7-(4-benzylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H24FN3O3 MolecularWeight: 421.464063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

C=CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C24H24FN3O3/c1-2-8-28-16-19(24(30)31)23(29)18-13-20(25)22(14-21(18)28)27-11-9-26(10-12-27)15-17-6-4-3-5-7-17/h2-7,13-14,16H,1,8-12,15H2,(H,30,31)