1-tert-butyl-7,9-bis(fluoranyl)-4-oxidanylidene-8-piperazin-1-yl-benzo[b][1,8]naphthyridine-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7,9-bis(fluoranyl)-4-oxidanylidene-8-piperazin-1-yl-benzo[b][1,8]naphthyridine-3-carboxylic acid Openeye Name: 1-tert-butyl-7,9-difluoro-4-oxo-8-piperazin-1-yl-benzo[b][1,8]naphthyridine-3-carboxylic acid CAS Name: 1-tert-butyl-7,9-difluoro-4-oxo-8-(1-piperazinyl)-3-benzo[b][1,8]naphthyridinecarboxylic acid IUPAC Name: 1-tert-butyl-7,9-difluoro-4-oxo-8-piperazin-1-ylbenzo[b][1,8]naphthyridine-3-carboxylic acid Traditional Name: 1-tert-butyl-7,9-difluoro-4-keto-8-piperazino-benzo[b][1,8]naphthyridine-3-carboxylic acid Formula: C21H22F2N4O3 MolecularWeight: 416.421186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=C1N=C3C(=C2)C=C(C(=C3F)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=C1N=C3C(=C2)C=C(C(=C3F)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C21H22F2N4O3/c1-21(2,3)27-10-13(20(29)30)18(28)12-8-11-9-14(22)17(26-6-4-24-5-7-26)15(23)16(11)25-19(12)27/h8-10,24H,4-7H2,1-3H3,(H,29,30)