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

Systemtic Name: 7-fluoranyl-1-methyl-4-oxidanylidene-8-(3-piperazin-1-ylazetidin-1-yl)benzo[b][1,8]naphthyridine-3-carboxylic acid Openeye Name: 7-fluoro-1-methyl-4-oxo-8-(3-piperazin-1-ylazetidin-1-yl)benzo[b][1,8]naphthyridine-3-carboxylic acid CAS Name: 7-fluoro-1-methyl-4-oxo-8-[3-(1-piperazinyl)-1-azetidinyl]-3-benzo[b][1,8]naphthyridinecarboxylic acid IUPAC Name: 7-fluoro-1-methyl-4-oxo-8-(3-piperazin-1-ylazetidin-1-yl)benzo[b][1,8]naphthyridine-3-carboxylic acid Traditional Name: 7-fluoro-4-keto-1-methyl-8-(3-piperazinoazetidin-1-yl)benzo[b][1,8]naphthyridine-3-carboxylic acid Formula: C21H22FN5O3 MolecularWeight: 411.429483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1N=C3C=C(C(=CC3=C2)F)N4CC(C4)N5CCNCC5)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1N=C3C=C(C(=CC3=C2)F)N4CC(C4)N5CCNCC5)C(=O)O

InChI

InChI=1S/C21H22FN5O3/c1-25-11-15(21(29)30)19(28)14-6-12-7-16(22)18(8-17(12)24-20(14)25)27-9-13(10-27)26-4-2-23-3-5-26/h6-8,11,13,23H,2-5,9-10H2,1H3,(H,29,30)