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

Systemtic Name: 6,8-bis(fluoranyl)-4-oxidanylidene-7-[4-(3-oxidanylidenebutyl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-4-oxo-7-[4-(3-oxobutyl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-4-oxo-7-[4-(3-oxobutyl)-1-piperazinyl]-1H-quinoline-3-carboxylic acid IUPAC Name: 6,8-difluoro-4-oxo-7-[4-(3-oxobutyl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-7-[4-(3-ketobutyl)piperazino]-1H-quinoline-3-carboxylic acid Formula: C18H19F2N3O4 MolecularWeight: 379.357966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F2N3O4/c1-10(24)2-3-22-4-6-23(7-5-22)16-13(19)8-11-15(14(16)20)21-9-12(17(11)25)18(26)27/h8-9H,2-7H2,1H3,(H,21,25)(H,26,27)