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

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanylmethyl]-7-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(2-chloro-4-fluorophenyl)methylthio]methyl]-7-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(2-chloro-4-fluoro-benzyl)thio]methyl]-7-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C26H25ClFN5O2S MolecularWeight: 526.025403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C26H25ClFN5O2S/c27-20-14-19(28)6-4-18(20)15-36-16-23-25(34)31-22-13-17(5-7-21(22)30-23)26(35)33-11-9-32(10-12-33)24-3-1-2-8-29-24/h1-8,13-14,23,30H,9-12,15-16H2,(H,31,34)