6-fluoranyl-1,8-dimethyl-4-oxidanylidene-7-[4-(2-oxidanylidenepropyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1,8-dimethyl-4-oxidanylidene-7-[4-(2-oxidanylidenepropyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-acetonylpiperazin-1-yl)-6-fluoro-1,8-dimethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1,8-dimethyl-4-oxo-7-[4-(2-oxopropyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1,8-dimethyl-4-oxo-7-[4-(2-oxopropyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 7-(4-acetonylpiperazino)-6-fluoro-4-keto-1,8-dimethyl-quinoline-3-carboxylic acid Formula: C19H22FN3O4 MolecularWeight: 375.394083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCN(CC3)CC(=O)C)F)C(=O)C(=CN2C)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCN(CC3)CC(=O)C)F)C(=O)C(=CN2C)C(=O)O

InChI

InChI=1S/C19H22FN3O4/c1-11(24)9-22-4-6-23(7-5-22)17-12(2)16-13(8-15(17)20)18(25)14(19(26)27)10-21(16)3/h8,10H,4-7,9H2,1-3H3,(H,26,27)