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

Systemtic Name: 2-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-chloranyl-6-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-chloro-6-methoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-chloro-6-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-chloro-6-methoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-chloro-6-methoxy-phenoxy]methyl]benzonitrile Formula: C25H17ClN4O2 MolecularWeight: 440.88108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Cl)OCC4=CC=CC=C4C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Cl)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C25H17ClN4O2/c1-31-23-12-16(10-19(14-28)25-29-21-8-4-5-9-22(21)30-25)11-20(26)24(23)32-15-18-7-3-2-6-17(18)13-27/h2-12H,15H2,1H3,(H,29,30)/b19-10+