3-(4-tert-butylphenyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(4-tert-butylphenyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-tert-butylphenyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-propanenitrile CAS Name: 3-(4-tert-butylphenyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxopropanenitrile IUPAC Name: 3-(4-tert-butylphenyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxopropanenitrile Traditional Name: 3-(4-tert-butylphenyl)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)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(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3N2C)C#N

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/h5-12,23H,1-4H3