(2S)-3-(4-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2S)-3-(4-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: (2S)-3-(4-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: (2S)-3-(4-tert-butylphenyl)-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: (2S)-3-(4-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: (2S)-3-(4-tert-butylphenyl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)[C@@H](C#N)C2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C21H21N3O/c1-21(2,3)15-11-9-14(10-12-15)19(25)16(13-22)20-23-17-7-5-6-8-18(17)24(20)4/h5-12,16H,1-4H3/t16-/m1/s1