2-(1H-benzimidazol-2-yl)-4-(5-methyl-2-propan-2-yl-phenoxy)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-(5-methyl-2-propan-2-yl-phenoxy)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-4-(2-isopropyl-5-methyl-phenoxy)-3-oxo-butanenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-4-(5-methyl-2-propan-2-ylphenoxy)-3-oxobutanenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-(5-methyl-2-propan-2-ylphenoxy)-3-oxobutanenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-4-(2-isopropyl-5-methyl-phenoxy)-3-keto-butyronitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H21N3O2/c1-13(2)15-9-8-14(3)10-20(15)26-12-19(25)16(11-22)21-23-17-6-4-5-7-18(17)24-21/h4-10,13,16H,12H2,1-3H3,(H,23,24)