1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-(p-tolylmethyl)quinoxalin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(2-fluorophenyl)-1-piperazinyl]-2-[[3-[(4-methylphenyl)methyl]-2-quinoxalinyl]thio]ethanone IUPAC Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylethanone Traditional Name: 1-[4-(2-fluorophenyl)piperazino]-2-[[3-(4-methylbenzyl)quinoxalin-2-yl]thio]ethanone Formula: C28H27FN4OS MolecularWeight: 486.603583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C28H27FN4OS/c1-20-10-12-21(13-11-20)18-25-28(31-24-8-4-3-7-23(24)30-25)35-19-27(34)33-16-14-32(15-17-33)26-9-5-2-6-22(26)29/h2-13H,14-19H2,1H3