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

Systemtic Name: 1-tert-butyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6,8-difluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6,8-difluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6,8-difluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-6,8-difluoro-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)(C)N1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNCC3)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNCC3)F)C(=O)O

InChI

InChI=1S/C18H21F2N3O3/c1-18(2,3)23-9-11(17(25)26)16(24)10-8-12(19)15(13(20)14(10)23)22-6-4-21-5-7-22/h8-9,21H,4-7H2,1-3H3,(H,25,26)