1-tert-butyl-7-(4-tert-butylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-(4-tert-butylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-(4-tert-butylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-(4-tert-butyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-(4-tert-butylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-(4-tert-butylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H30FN3O3 MolecularWeight: 403.490303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)(C)C)F

Isomeric SMILES

CC(C)(C)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)(C)C)F

InChI

InChI=1S/C22H30FN3O3/c1-21(2,3)25-9-7-24(8-10-25)18-12-17-14(11-16(18)23)19(27)15(20(28)29)13-26(17)22(4,5)6/h11-13H,7-10H2,1-6H3,(H,28,29)