2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[methyl-(phenylmethyl)amino]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[methyl-(phenylmethyl)amino]-3-oxidanylidene-butanenitrile Openeye Name: 4-[benzyl(methyl)amino]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[methyl-(phenylmethyl)amino]-3-oxobutanenitrile IUPAC Name: 4-[benzyl(methyl)amino]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[benzyl(methyl)amino]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CN(C)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CN(C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N4O/c1-23(14-16-9-5-4-6-10-16)15-20(26)17(13-22)21-24(2)18-11-7-8-12-19(18)25(21)3/h4-12H,14-15H2,1-3H3