1-tert-butyl-6-fluoranyl-2-[2-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-fluoranyl-2-[2-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 1-tert-butyl-6-fluoro-2-[2-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 1-tert-butyl-6-fluoro-2-[2-(4-methyl-1-piperazinyl)-1-pyrrolidinyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 1-tert-butyl-6-fluoro-2-[2-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 1-tert-butyl-6-fluoro-4-keto-2-[2-(4-methylpiperazino)pyrrolidino]-1,8-naphthyridine-3-carboxylic acid Formula: C22H30FN5O3 MolecularWeight: 431.503703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=O)C2=CC(=CN=C21)F)C(=O)O)N3CCCC3N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)N1C(=C(C(=O)C2=CC(=CN=C21)F)C(=O)O)N3CCCC3N4CCN(CC4)C

InChI

InChI=1S/C22H30FN5O3/c1-22(2,3)28-19-15(12-14(23)13-24-19)18(29)17(21(30)31)20(28)27-7-5-6-16(27)26-10-8-25(4)9-11-26/h12-13,16H,5-11H2,1-4H3,(H,30,31)