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

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanylmethyl]-7-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(2-fluorophenyl)methylsulfanylmethyl]-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(2-fluorophenyl)methylthio]methyl]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-fluorophenyl)methylsulfanylmethyl]-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(2-fluorobenzyl)thio]methyl]-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C27H27FN4O2S MolecularWeight: 490.592283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=CC=C5F

InChI

InChI=1S/C27H27FN4O2S/c28-22-9-5-4-6-20(22)17-35-18-25-26(33)30-24-16-19(10-11-23(24)29-25)27(34)32-14-12-31(13-15-32)21-7-2-1-3-8-21/h1-11,16,25,29H,12-15,17-18H2,(H,30,33)