3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-7-piperidin-1-ylcarbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-7-piperidin-1-ylcarbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanylmethyl]-7-(piperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(2-chloro-4-fluorophenyl)methylthio]methyl]-7-[oxo(1-piperidinyl)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]-7-(piperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(2-chloro-4-fluoro-benzyl)thio]methyl]-7-(piperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C22H23ClFN3O2S MolecularWeight: 447.953323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H23ClFN3O2S/c23-17-11-16(24)6-4-15(17)12-30-13-20-21(28)26-19-10-14(5-7-18(19)25-20)22(29)27-8-2-1-3-9-27/h4-7,10-11,20,25H,1-3,8-9,12-13H2,(H,26,28)