2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-oxo-butanenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-oxobutanenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-oxobutanenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-keto-butyronitrile Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3/c1-24-17-8-7-12(10-18(17)25-2)9-16(23)13(11-20)19-21-14-5-3-4-6-15(14)22-19/h3-8,10,13H,9H2,1-2H3,(H,21,22)