3-[3-(5-bromanylpentoxy)quinoxalin-2-yl]-4-methyl-benzenecarbonitrile

Systemtic Name: 3-[3-(5-bromanylpentoxy)quinoxalin-2-yl]-4-methyl-benzenecarbonitrile Openeye Name: 3-[3-(5-bromopentoxy)quinoxalin-2-yl]-4-methyl-benzonitrile CAS Name: 3-[3-(5-bromopentoxy)-2-quinoxalinyl]-4-methylbenzonitrile IUPAC Name: 3-[3-(5-bromopentoxy)quinoxalin-2-yl]-4-methylbenzonitrile Traditional Name: 3-[3-(5-bromopentoxy)quinoxalin-2-yl]-4-methyl-benzonitrile Formula: C21H20BrN3O MolecularWeight: 410.307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)C2=NC3=CC=CC=C3N=C2OCCCCCBr

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)C2=NC3=CC=CC=C3N=C2OCCCCCBr

InChI

InChI=1S/C21H20BrN3O/c1-15-9-10-16(14-23)13-17(15)20-21(26-12-6-2-5-11-22)25-19-8-4-3-7-18(19)24-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3