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

Systemtic Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(2-phenylethynyl)benzenecarbonitrile Openeye Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(2-phenylethynyl)benzonitrile CAS Name: 4-[[(4-cyanophenyl)-(3-methyl-4-imidazolyl)methoxy]methyl]-3-(2-phenylethynyl)benzonitrile IUPAC Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(2-phenylethynyl)benzonitrile Traditional Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(2-phenylethynyl)benzonitrile Formula: C28H20N4O MolecularWeight: 428.4846

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H20N4O/c1-32-20-31-18-27(32)28(24-11-8-22(16-29)9-12-24)33-19-26-14-10-23(17-30)15-25(26)13-7-21-5-3-2-4-6-21/h2-6,8-12,14-15,18,20,28H,19H2,1H3