(E)-2-(1H-benzimidazol-2-yl)-5-(3,4-dimethoxyphenyl)-3-oxidanylidene-pent-4-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-5-(3,4-dimethoxyphenyl)-3-oxidanylidene-pent-4-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-5-(3,4-dimethoxyphenyl)-3-oxo-pent-4-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-5-(3,4-dimethoxyphenyl)-3-oxo-4-pentenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-5-(3,4-dimethoxyphenyl)-3-oxopent-4-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-5-(3,4-dimethoxyphenyl)-3-keto-pent-4-enenitrile Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C(C#N)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C(C#N)C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C20H17N3O3/c1-25-18-10-8-13(11-19(18)26-2)7-9-17(24)14(12-21)20-22-15-5-3-4-6-16(15)23-20/h3-11,14H,1-2H3,(H,22,23)/b9-7+