2-[2-methyl-6-[[3-(quinoxalin-2-ylmethoxy)phenoxy]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methyl-6-[[3-(quinoxalin-2-ylmethoxy)phenoxy]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methyl-6-[[3-(quinoxalin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetonitrile CAS Name: 2-[2-methyl-6-[[3-(2-quinoxalinylmethoxy)phenoxy]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methyl-6-[[3-(quinoxalin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetonitrile Traditional Name: 2-[2-methyl-6-[[3-(quinoxalin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetonitrile Formula: C25H21N3O3 MolecularWeight: 411.45254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4N=C3)OCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4N=C3)OCC#N

InChI

InChI=1S/C25H21N3O3/c1-18-6-4-7-19(25(18)29-13-12-26)16-30-21-8-5-9-22(14-21)31-17-20-15-27-23-10-2-3-11-24(23)28-20/h2-11,14-15H,13,16-17H2,1H3