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

Systemtic Name: 1-tert-butyl-7-fluoranyl-4-oxidanylidene-8-piperazin-1-yl-benzo[b][1,8]naphthyridine-3-carboxylic acid Openeye Name: 1-tert-butyl-7-fluoro-4-oxo-8-piperazin-1-yl-benzo[b][1,8]naphthyridine-3-carboxylic acid CAS Name: 1-tert-butyl-7-fluoro-4-oxo-8-(1-piperazinyl)-3-benzo[b][1,8]naphthyridinecarboxylic acid IUPAC Name: 1-tert-butyl-7-fluoro-4-oxo-8-piperazin-1-ylbenzo[b][1,8]naphthyridine-3-carboxylic acid Traditional Name: 1-tert-butyl-7-fluoro-4-keto-8-piperazino-benzo[b][1,8]naphthyridine-3-carboxylic acid Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=C1N=C3C=C(C(=CC3=C2)F)N4CCNCC4)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=C1N=C3C=C(C(=CC3=C2)F)N4CCNCC4)C(=O)O

InChI

InChI=1S/C21H23FN4O3/c1-21(2,3)26-11-14(20(28)29)18(27)13-8-12-9-15(22)17(10-16(12)24-19(13)26)25-6-4-23-5-7-25/h8-11,23H,4-7H2,1-3H3,(H,28,29)