2-[2-methyl-6-[[3-[(quinolin-2-ylamino)methyl]phenoxy]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methyl-6-[[3-[(quinolin-2-ylamino)methyl]phenoxy]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methyl-6-[[3-[(2-quinolylamino)methyl]phenoxy]methyl]phenoxy]acetonitrile CAS Name: 2-[2-methyl-6-[[3-[(2-quinolinylamino)methyl]phenoxy]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methyl-6-[[3-[(quinolin-2-ylamino)methyl]phenoxy]methyl]phenoxy]acetonitrile Traditional Name: 2-[2-methyl-6-[[3-[(2-quinolylamino)methyl]phenoxy]methyl]phenoxy]acetonitrile Formula: C26H23N3O2 MolecularWeight: 409.47972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)CNC3=NC4=CC=CC=C4C=C3)OCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)CNC3=NC4=CC=CC=C4C=C3)OCC#N

InChI

InChI=1S/C26H23N3O2/c1-19-6-4-9-22(26(19)30-15-14-27)18-31-23-10-5-7-20(16-23)17-28-25-13-12-21-8-2-3-11-24(21)29-25/h2-13,16H,15,17-18H2,1H3,(H,28,29)