3-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-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-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-butyl-4-[4-[2-(4-fluoro-1H-indol-3-yl)-1,2-dioxoethyl]-1-piperazinyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-butyl-4-[4-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-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:

CCCCC1=C(C(=O)C1=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

Isomeric SMILES

CCCCC1=C(C(=O)C1=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

InChI

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