1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(2,3,5,6-tetramethylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(2,3,5,6-tetramethylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(2,3,5,6-tetramethylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(2,3,5,6-tetramethyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(2,3,5,6-tetramethylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(2,3,5,6-tetramethylpiperazino)quinoline-3-carboxylic acid Formula: C21H26FN3O3 MolecularWeight: 387.447843

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(C(N1)C)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)C

Isomeric SMILES

CC1C(N(C(C(N1)C)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)C

InChI

InChI=1S/C21H26FN3O3/c1-10-12(3)25(13(4)11(2)23-10)19-8-18-15(7-17(19)22)20(26)16(21(27)28)9-24(18)14-5-6-14/h7-14,23H,5-6H2,1-4H3,(H,27,28)