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

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanylmethyl]-7-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(4-fluorophenyl)methylsulfanylmethyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(4-fluorophenyl)methylthio]methyl]-7-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(4-fluorophenyl)methylsulfanylmethyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(4-fluorobenzyl)thio]methyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C21H22FN3O2S MolecularWeight: 399.481683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O2S/c22-16-6-3-14(4-7-16)12-28-13-19-20(26)24-18-11-15(5-8-17(18)23-19)21(27)25-9-1-2-10-25/h3-8,11,19,23H,1-2,9-10,12-13H2,(H,24,26)