3-tert-butyl-4-[4-[2-(4-fluoranyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]piperazin-1-yl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-tert-butyl-4-[4-[2-(4-fluoranyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]piperazin-1-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-tert-butyl-4-[4-[2-(4-fluoro-1H-indol-3-yl)-2-oxo-acetyl]piperazin-1-yl]cyclobut-3-ene-1,2-dione CAS Name: 3-tert-butyl-4-[4-[2-(4-fluoro-1H-indol-3-yl)-1,2-dioxoethyl]-1-piperazinyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-tert-butyl-4-[4-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-tert-butyl-4-[4-[2-(4-fluoro-1H-indol-3-yl)-2-keto-acetyl]piperazino]cyclobut-3-ene-1,2-quinone Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)C1=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

Isomeric SMILES

CC(C)(C)C1=C(C(=O)C1=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

InChI

InChI=1S/C22H22FN3O4/c1-22(2,3)16-17(20(29)19(16)28)25-7-9-26(10-8-25)21(30)18(27)12-11-24-14-6-4-5-13(23)15(12)14/h4-6,11,24H,7-10H2,1-3H3