1-tert-butyl-6-fluoranyl-7-[3-(fluoranylmethyl)piperazin-1-yl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-fluoranyl-7-[3-(fluoranylmethyl)piperazin-1-yl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 1-tert-butyl-6-fluoro-7-[3-(fluoromethyl)piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 1-tert-butyl-6-fluoro-7-[3-(fluoromethyl)-1-piperazinyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 1-tert-butyl-6-fluoro-7-[3-(fluoromethyl)piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 1-tert-butyl-6-fluoro-7-[3-(fluoromethyl)piperazino]-4-keto-1,8-naphthyridine-3-carboxylic acid Formula: C18H22F2N4O3 MolecularWeight: 380.389086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CCNC(C3)CF)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CCNC(C3)CF)F)C(=O)O

InChI

InChI=1S/C18H22F2N4O3/c1-18(2,3)24-9-12(17(26)27)14(25)11-6-13(20)16(22-15(11)24)23-5-4-21-10(7-19)8-23/h6,9-10,21H,4-5,7-8H2,1-3H3,(H,26,27)