3-[(2-fluorophenyl)methylsulfanylmethyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanylmethyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(2-fluorophenyl)methylsulfanylmethyl]-7-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(2-fluorophenyl)methylthio]methyl]-7-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-fluorophenyl)methylsulfanylmethyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(2-fluorobenzyl)thio]methyl]-7-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C26H26FN5O2S MolecularWeight: 491.580343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=CC=C5F

InChI

InChI=1S/C26H26FN5O2S/c27-20-6-2-1-5-19(20)16-35-17-23-25(33)30-22-15-18(8-9-21(22)29-23)26(34)32-13-11-31(12-14-32)24-7-3-4-10-28-24/h1-10,15,23,29H,11-14,16-17H2,(H,30,33)