4,4,5,5-tetramethyl-1H-azepine-2-carbonitrile

Systemtic Name: 4,4,5,5-tetramethyl-1H-azepine-2-carbonitrile Openeye Name: 4,4,5,5-tetramethyl-1H-azepine-2-carbonitrile CAS Name: 4,4,5,5-tetramethyl-1H-azepine-2-carbonitrile IUPAC Name: 4,4,5,5-tetramethyl-1H-azepine-2-carbonitrile Traditional Name: 4,4,5,5-tetramethyl-1H-azepine-2-carbonitrile Formula: C11H16N2 MolecularWeight: 176.25814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CNC(=CC1(C)C)C#N)C

Isomeric SMILES

CC1(C=CNC(=CC1(C)C)C#N)C

InChI

InChI=1S/C11H16N2/c1-10(2)5-6-13-9(8-12)7-11(10,3)4/h5-7,13H,1-4H3