7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-[[(4-fluorophenyl)methylthio]methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[[(4-fluorobenzyl)thio]methyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=C(C=C5)F

InChI

InChI=1S/C26H24FN3O2S/c27-21-8-5-17(6-9-21)15-33-16-24-25(31)29-23-13-19(7-10-22(23)28-24)26(32)30-12-11-18-3-1-2-4-20(18)14-30/h1-10,13,24,28H,11-12,14-16H2,(H,29,31)