2-[4-[(2-phenylquinazolin-4-yl)amino]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(2-phenylquinazolin-4-yl)amino]phenoxy]ethanenitrile Openeye Name: 2-[4-[(2-phenylquinazolin-4-yl)amino]phenoxy]acetonitrile CAS Name: 2-[4-[(2-phenyl-4-quinazolinyl)amino]phenoxy]acetonitrile IUPAC Name: 2-[4-[(2-phenylquinazolin-4-yl)amino]phenoxy]acetonitrile Traditional Name: 2-[4-[(2-phenylquinazolin-4-yl)amino]phenoxy]acetonitrile Formula: C22H16N4O MolecularWeight: 352.38864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C22H16N4O/c23-14-15-27-18-12-10-17(11-13-18)24-22-19-8-4-5-9-20(19)25-21(26-22)16-6-2-1-3-7-16/h1-13H,15H2,(H,24,25,26)