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

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanylmethyl]-7-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 7-(4-benzylpiperidine-1-carbonyl)-3-[(2-fluorophenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(2-fluorophenyl)methylthio]methyl]-7-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 7-(4-benzylpiperidine-1-carbonyl)-3-[(2-fluorophenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 7-(4-benzylpiperidine-1-carbonyl)-3-[[(2-fluorobenzyl)thio]methyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C29H30FN3O2S MolecularWeight: 503.630803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=CC=C5F

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=CC=C5F

InChI

InChI=1S/C29H30FN3O2S/c30-24-9-5-4-8-23(24)18-36-19-27-28(34)32-26-17-22(10-11-25(26)31-27)29(35)33-14-12-21(13-15-33)16-20-6-2-1-3-7-20/h1-11,17,21,27,31H,12-16,18-19H2,(H,32,34)