6,8-bis(fluoranyl)-1-(2-methylpropyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-methylpropyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-isobutyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(2-methylpropyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(2-methylpropyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-isobutyl-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C18H21F2N3O3 MolecularWeight: 365.374446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNCC3)F)C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNCC3)F)C(=O)O

InChI

InChI=1S/C18H21F2N3O3/c1-10(2)8-23-9-12(18(25)26)17(24)11-7-13(19)16(14(20)15(11)23)22-5-3-21-4-6-22/h7,9-10,21H,3-6,8H2,1-2H3,(H,25,26)