1-cyclopropyl-7-[2,5-dimethyl-4-(2-oxidanylidenepropyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[2,5-dimethyl-4-(2-oxidanylidenepropyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-acetonyl-2,5-dimethyl-piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[2,5-dimethyl-4-(2-oxopropyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[2,5-dimethyl-4-(2-oxopropyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-acetonyl-2,5-dimethyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)C)CC(=O)C

Isomeric SMILES

CC1CN(C(CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)C)CC(=O)C

InChI

InChI=1S/C22H26FN3O4/c1-12-9-25(13(2)8-24(12)10-14(3)27)20-7-19-16(6-18(20)23)21(28)17(22(29)30)11-26(19)15-4-5-15/h6-7,11-13,15H,4-5,8-10H2,1-3H3,(H,29,30)