6-[2-fluoranyl-4-[(E)-6-oxidanylhept-1-enyl]phenyl]-1H-quinoxalin-2-one

Systemtic Name: 6-[2-fluoranyl-4-[(E)-6-oxidanylhept-1-enyl]phenyl]-1H-quinoxalin-2-one Openeye Name: 6-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-quinoxalin-2-one CAS Name: 6-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-quinoxalin-2-one IUPAC Name: 6-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-quinoxalin-2-one Traditional Name: 6-[2-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-quinoxalin-2-one Formula: C21H21FN2O2 MolecularWeight: 352.402043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=CC1=CC(=C(C=C1)C2=CC3=C(C=C2)NC(=O)C=N3)F)O

Isomeric SMILES

CC(CCC/C=C/C1=CC(=C(C=C1)C2=CC3=C(C=C2)NC(=O)C=N3)F)O

InChI

InChI=1S/C21H21FN2O2/c1-14(25)5-3-2-4-6-15-7-9-17(18(22)11-15)16-8-10-19-20(12-16)23-13-21(26)24-19/h4,6-14,25H,2-3,5H2,1H3,(H,24,26)/b6-4+