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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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