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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanylmethyl]-7-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanylmethyl]-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(2-chloro-6-fluorophenyl)methylthio]methyl]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(2-chloro-6-fluoro-benzyl)thio]methyl]-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C27H26ClFN4O2S MolecularWeight: 525.037343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C27H26ClFN4O2S/c28-21-7-4-8-22(29)20(21)16-36-17-25-26(34)31-24-15-18(9-10-23(24)30-25)27(35)33-13-11-32(12-14-33)19-5-2-1-3-6-19/h1-10,15,25,30H,11-14,16-17H2,(H,31,34)