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

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanylmethyl]-7-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(2-fluorophenyl)methylsulfanylmethyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(2-fluorophenyl)methylthio]methyl]-7-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-fluorophenyl)methylsulfanylmethyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(2-fluorobenzyl)thio]methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C28H29FN4O3S MolecularWeight: 520.618263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=CC=C5F

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=CC=C5F

InChI

InChI=1S/C28H29FN4O3S/c1-36-22-9-7-21(8-10-22)32-12-14-33(15-13-32)28(35)19-6-11-24-25(16-19)31-27(34)26(30-24)18-37-17-20-4-2-3-5-23(20)29/h2-11,16,26,30H,12-15,17-18H2,1H3,(H,31,34)