4-(4-bromanyl-2-tert-butyl-phenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(4-bromanyl-2-tert-butyl-phenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(4-bromo-2-tert-butyl-phenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-(4-bromo-2-tert-butylphenoxy)-2-(1-methyl-2-benzimidazolyl)-3-oxobutanenitrile IUPAC Name: 4-(4-bromo-2-tert-butylphenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-(4-bromo-2-tert-butyl-phenoxy)-3-keto-2-(1-methylbenzimidazol-2-yl)butyronitrile Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O2/c1-22(2,3)16-11-14(23)9-10-20(16)28-13-19(27)15(12-24)21-25-17-7-5-6-8-18(17)26(21)4/h5-11,15H,13H2,1-4H3