1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[4-(3-oxidanylidenebutyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[4-(3-oxidanylidenebutyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[4-(3-oxobutyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[4-(3-oxobutyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[4-(3-oxobutyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[4-(3-ketobutyl)piperazino]quinoline-3-carboxylic acid Formula: C21H23F2N3O4 MolecularWeight: 419.421826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC(=O)CCN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H23F2N3O4/c1-12(27)4-5-24-6-8-25(9-7-24)19-16(22)10-14-18(17(19)23)26(13-2-3-13)11-15(20(14)28)21(29)30/h10-11,13H,2-9H2,1H3,(H,29,30)