3-[(3-fluorophenyl)methylsulfonylmethyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(3-fluorophenyl)methylsulfonylmethyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(3-fluorophenyl)methylsulfonylmethyl]-7-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[(3-fluorophenyl)methylsulfonylmethyl]-7-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(3-fluorophenyl)methylsulfonylmethyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[(3-fluorobenzyl)sulfonylmethyl]-7-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C26H26FN5O4S MolecularWeight: 523.579143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CS(=O)(=O)CC5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CS(=O)(=O)CC5=CC(=CC=C5)F

InChI

InChI=1S/C26H26FN5O4S/c27-20-5-3-4-18(14-20)16-37(35,36)17-23-25(33)30-22-15-19(7-8-21(22)29-23)26(34)32-12-10-31(11-13-32)24-6-1-2-9-28-24/h1-9,14-15,23,29H,10-13,16-17H2,(H,30,33)