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

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-7-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanylmethyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(2-chloro-4-fluorophenyl)methylthio]methyl]-7-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(2-chloro-4-fluoro-benzyl)thio]methyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C21H21ClFN3O2S MolecularWeight: 433.926743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN3O2S/c22-16-10-15(23)5-3-14(16)11-29-12-19-20(27)25-18-9-13(4-6-17(18)24-19)21(28)26-7-1-2-8-26/h3-6,9-10,19,24H,1-2,7-8,11-12H2,(H,25,27)