3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanylmethyl]-7-(3-methylpiperidin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanylmethyl]-7-(3-methylpiperidin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanylmethyl]-7-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(2-chloro-6-fluorophenyl)methylthio]methyl]-7-[(3-methyl-1-piperidinyl)-oxomethyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-7-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(2-chloro-6-fluoro-benzyl)thio]methyl]-7-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C23H25ClFN3O2S MolecularWeight: 461.979903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H25ClFN3O2S/c1-14-4-3-9-28(11-14)23(30)15-7-8-19-20(10-15)27-22(29)21(26-19)13-31-12-16-17(24)5-2-6-18(16)25/h2,5-8,10,14,21,26H,3-4,9,11-13H2,1H3,(H,27,29)