4-(2,3-dimethylphenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(2,3-dimethylphenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(2,3-dimethylphenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-(2,3-dimethylphenoxy)-2-(1-methyl-2-benzimidazolyl)-3-oxobutanenitrile IUPAC Name: 4-(2,3-dimethylphenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-(2,3-dimethylphenoxy)-3-keto-2-(1-methylbenzimidazol-2-yl)butyronitrile Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2C)C

InChI

InChI=1S/C20H19N3O2/c1-13-7-6-10-19(14(13)2)25-12-18(24)15(11-21)20-22-16-8-4-5-9-17(16)23(20)3/h4-10,15H,12H2,1-3H3