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

Systemtic Name: 1-tert-butyl-7-fluoranyl-4-oxidanylidene-8-(3-piperazin-1-ylazetidin-1-yl)benzo[b][1,8]naphthyridine-3-carboxylic acid Openeye Name: 1-tert-butyl-7-fluoro-4-oxo-8-(3-piperazin-1-ylazetidin-1-yl)benzo[b][1,8]naphthyridine-3-carboxylic acid CAS Name: 1-tert-butyl-7-fluoro-4-oxo-8-[3-(1-piperazinyl)-1-azetidinyl]-3-benzo[b][1,8]naphthyridinecarboxylic acid IUPAC Name: 1-tert-butyl-7-fluoro-4-oxo-8-(3-piperazin-1-ylazetidin-1-yl)benzo[b][1,8]naphthyridine-3-carboxylic acid Traditional Name: 1-tert-butyl-7-fluoro-4-keto-8-(3-piperazinoazetidin-1-yl)benzo[b][1,8]naphthyridine-3-carboxylic acid Formula: C24H28FN5O3 MolecularWeight: 453.509223

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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)N4CC(C4)N5CCNCC5)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=C1N=C3C=C(C(=CC3=C2)F)N4CC(C4)N5CCNCC5)C(=O)O

InChI

InChI=1S/C24H28FN5O3/c1-24(2,3)30-13-17(23(32)33)21(31)16-8-14-9-18(25)20(10-19(14)27-22(16)30)29-11-15(12-29)28-6-4-26-5-7-28/h8-10,13,15,26H,4-7,11-12H2,1-3H3,(H,32,33)