4-[(Z)-1-imidazol-1-yl-4,4-dimethyl-1-oxidanylidene-pent-2-en-3-yl]benzenecarbonitrile

Systemtic Name: 4-[(Z)-1-imidazol-1-yl-4,4-dimethyl-1-oxidanylidene-pent-2-en-3-yl]benzenecarbonitrile Openeye Name: 4-[(Z)-1-tert-butyl-3-imidazol-1-yl-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(Z)-1-(1-imidazolyl)-4,4-dimethyl-1-oxopent-2-en-3-yl]benzonitrile IUPAC Name: 4-[(Z)-1-imidazol-1-yl-4,4-dimethyl-1-oxopent-2-en-3-yl]benzonitrile Traditional Name: 4-[(Z)-1-tert-butyl-3-imidazol-1-yl-3-keto-prop-1-enyl]benzonitrile Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=CC(=O)N1C=CN=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)/C(=C/C(=O)N1C=CN=C1)/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H17N3O/c1-17(2,3)15(10-16(21)20-9-8-19-12-20)14-6-4-13(11-18)5-7-14/h4-10,12H,1-3H3/b15-10+