1-tert-butyl-6-fluoranyl-4-oxidanylidene-7-[4-[2-(pyrazin-2-ylcarbonylamino)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-fluoranyl-4-oxidanylidene-7-[4-[2-(pyrazin-2-ylcarbonylamino)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6-fluoro-4-oxo-7-[4-[2-(pyrazine-2-carbonylamino)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-fluoro-4-oxo-7-[4-[2-[[oxo(2-pyrazinyl)methyl]amino]ethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-fluoro-4-oxo-7-[4-[2-(pyrazine-2-carbonylamino)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-6-fluoro-4-keto-7-[4-[2-(pyrazinoylamino)ethyl]piperazino]quinoline-3-carboxylic acid Formula: C25H29FN6O4 MolecularWeight: 496.533963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CCNC(=O)C4=NC=CN=C4)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CCNC(=O)C4=NC=CN=C4)F)C(=O)O

InChI

InChI=1S/C25H29FN6O4/c1-25(2,3)32-15-17(24(35)36)22(33)16-12-18(26)21(13-20(16)32)31-10-8-30(9-11-31)7-6-29-23(34)19-14-27-4-5-28-19/h4-5,12-15H,6-11H2,1-3H3,(H,29,34)(H,35,36)