1-cyclopropyl-6-fluoranyl-7-[3-methyl-4-(2-oxidanylidenepropyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-methyl-4-(2-oxidanylidenepropyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-acetonyl-3-methyl-piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-methyl-4-(2-oxopropyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-methyl-4-(2-oxopropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-acetonyl-3-methyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H24FN3O4 MolecularWeight: 401.431363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(=O)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1CC(=O)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H24FN3O4/c1-12-9-24(6-5-23(12)10-13(2)26)19-8-18-15(7-17(19)22)20(27)16(21(28)29)11-25(18)14-3-4-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,28,29)