4-(4-imidazol-1-ylphenyl)-3-methyl-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(4-imidazol-1-ylphenyl)-3-methyl-4-oxidanylidene-butanenitrile Openeye Name: 4-(4-imidazol-1-ylphenyl)-3-methyl-4-oxo-butanenitrile CAS Name: 4-[4-(1-imidazolyl)phenyl]-3-methyl-4-oxobutanenitrile IUPAC Name: 4-(4-imidazol-1-ylphenyl)-3-methyl-4-oxobutanenitrile Traditional Name: 4-(4-imidazol-1-ylphenyl)-4-keto-3-methyl-butyronitrile Formula: C14H13N3O MolecularWeight: 239.27252

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C(=O)C1=CC=C(C=C1)N2C=CN=C2

Isomeric SMILES

CC(CC#N)C(=O)C1=CC=C(C=C1)N2C=CN=C2

InChI

InChI=1S/C14H13N3O/c1-11(6-7-15)14(18)12-2-4-13(5-3-12)17-9-8-16-10-17/h2-5,8-11H,6H2,1H3