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

Systemtic Name: 1-tert-butyl-6-fluoranyl-7-[3-(fluoranylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6-fluoro-7-[3-(fluoromethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-fluoro-7-[3-(fluoromethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-fluoro-7-[3-(fluoromethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-6-fluoro-7-[3-(fluoromethyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C19H23F2N3O3 MolecularWeight: 379.401026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23F2N3O3/c1-19(2,3)24-10-13(18(26)27)17(25)12-6-14(21)16(7-15(12)24)23-5-4-22-11(8-20)9-23/h6-7,10-11,22H,4-5,8-9H2,1-3H3,(H,26,27)