3-[(3-fluorophenyl)methylsulfanylmethyl]-7-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanylmethyl]-7-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(3-fluorophenyl)methylsulfanylmethyl]-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(3-fluorophenyl)methylthio]methyl]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(3-fluorophenyl)methylsulfanylmethyl]-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(3-fluorobenzyl)thio]methyl]-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C27H27FN4O2S MolecularWeight: 490.592283

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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=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC(=CC=C5)F

InChI

InChI=1S/C27H27FN4O2S/c28-21-6-4-5-19(15-21)17-35-18-25-26(33)30-24-16-20(9-10-23(24)29-25)27(34)32-13-11-31(12-14-32)22-7-2-1-3-8-22/h1-10,15-16,25,29H,11-14,17-18H2,(H,30,33)