3-[3-(5-bromanylpentoxy)quinoxalin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[3-(5-bromanylpentoxy)quinoxalin-2-yl]benzenecarbonitrile Openeye Name: 3-[3-(5-bromopentoxy)quinoxalin-2-yl]benzonitrile CAS Name: 3-[3-(5-bromopentoxy)-2-quinoxalinyl]benzonitrile IUPAC Name: 3-[3-(5-bromopentoxy)quinoxalin-2-yl]benzonitrile Traditional Name: 3-[3-(5-bromopentoxy)quinoxalin-2-yl]benzonitrile Formula: C20H18BrN3O MolecularWeight: 396.28042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)OCCCCCBr)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)OCCCCCBr)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18BrN3O/c21-11-4-1-5-12-25-20-19(16-8-6-7-15(13-16)14-22)23-17-9-2-3-10-18(17)24-20/h2-3,6-10,13H,1,4-5,11-12H2