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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-[(3-fluorophenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(3-fluorophenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-[[(3-fluorophenyl)methylthio]methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(3-fluorophenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[[(3-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(=CC=C5)F

Isomeric SMILES

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

InChI

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