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

Systemtic Name: 6-azanyl-1-tert-butyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-tert-butyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-1-tert-butyl-7-[4-(4-fluorophenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-tert-butyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-1-tert-butyl-7-[4-(4-fluorophenyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C24H27FN4O3 MolecularWeight: 438.494583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=C(C=C4)F)N)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=C(C=C4)F)N)C(=O)O

InChI

InChI=1S/C24H27FN4O3/c1-24(2,3)29-14-18(23(31)32)22(30)17-12-19(26)21(13-20(17)29)28-10-8-27(9-11-28)16-6-4-15(25)5-7-16/h4-7,12-14H,8-11,26H2,1-3H3,(H,31,32)