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

Systemtic Name: 1-tert-butyl-7-[4-(dimethylamino)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[4-(dimethylamino)piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-[4-(dimethylamino)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-[4-(dimethylamino)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-[4-(dimethylamino)piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H27FN4O3 MolecularWeight: 390.451783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)N(C)C)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)N(C)C)F)C(=O)O

InChI

InChI=1S/C20H27FN4O3/c1-20(2,3)25-12-14(19(27)28)18(26)13-10-15(21)17(11-16(13)25)23-6-8-24(9-7-23)22(4)5/h10-12H,6-9H2,1-5H3,(H,27,28)