3-[2-(4-cyanophenyl)ethynyl]-4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzenecarbonitrile

Systemtic Name: 3-[2-(4-cyanophenyl)ethynyl]-4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzenecarbonitrile Openeye Name: 3-[2-(4-cyanophenyl)ethynyl]-4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzonitrile CAS Name: 3-[2-(4-cyanophenyl)ethynyl]-4-[[(4-cyanophenyl)-(3-methyl-4-imidazolyl)methoxy]methyl]benzonitrile IUPAC Name: 3-[2-(4-cyanophenyl)ethynyl]-4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzonitrile Traditional Name: 3-[2-(4-cyanophenyl)ethynyl]-4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzonitrile Formula: C29H19N5O MolecularWeight: 453.49406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)OCC3=C(C=C(C=C3)C#N)C#CC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)OCC3=C(C=C(C=C3)C#N)C#CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H19N5O/c1-34-20-33-18-28(34)29(25-10-7-23(16-31)8-11-25)35-19-27-13-9-24(17-32)14-26(27)12-6-21-2-4-22(15-30)5-3-21/h2-5,7-11,13-14,18,20,29H,19H2,1H3