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

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)-4-(5-methyl-2-propan-2-yl-phenoxy)-3-oxidanylidene-butanenitrile Openeye Name: 4-(2-isopropyl-5-methyl-phenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxo-butanenitrile CAS Name: 2-(1-methyl-2-benzimidazolyl)-4-(5-methyl-2-propan-2-ylphenoxy)-3-oxobutanenitrile IUPAC Name: 2-(1-methylbenzimidazol-2-yl)-4-(5-methyl-2-propan-2-ylphenoxy)-3-oxobutanenitrile Traditional Name: 4-(2-isopropyl-5-methyl-phenoxy)-3-keto-2-(1-methylbenzimidazol-2-yl)butyronitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

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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=C3N2C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2/c1-14(2)16-10-9-15(3)11-21(16)27-13-20(26)17(12-23)22-24-18-7-5-6-8-19(18)25(22)4/h5-11,14,17H,13H2,1-4H3