4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-6-methoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-6-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-bromo-6-methoxy-phenoxy]methyl]benzonitrile CAS Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenoxy]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-bromo-6-methoxy-phenoxy]methyl]benzonitrile Formula: C25H17BrN4O2 MolecularWeight: 485.33208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Br)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H17BrN4O2/c1-31-23-12-18(10-19(14-28)25-29-21-4-2-3-5-22(21)30-25)11-20(26)24(23)32-15-17-8-6-16(13-27)7-9-17/h2-12H,15H2,1H3,(H,29,30)/b19-10+