(2E)-2-(azepan-2-ylidene)-2-(2-chlorophenyl)ethanenitrile

Systemtic Name: (2E)-2-(azepan-2-ylidene)-2-(2-chlorophenyl)ethanenitrile Openeye Name: (2E)-2-(azepan-2-ylidene)-2-(2-chlorophenyl)acetonitrile CAS Name: (2E)-2-(2-azepanylidene)-2-(2-chlorophenyl)acetonitrile IUPAC Name: (2E)-2-(azepan-2-ylidene)-2-(2-chlorophenyl)acetonitrile Traditional Name: (2E)-2-(azepan-2-ylidene)-2-(2-chlorophenyl)acetonitrile Formula: C14H15ClN2 MolecularWeight: 246.7353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C#N)C2=CC=CC=C2Cl)NCC1

Isomeric SMILES

C1CC/C(=C(\C#N)/C2=CC=CC=C2Cl)/NCC1

InChI

InChI=1S/C14H15ClN2/c15-13-7-4-3-6-11(13)12(10-16)14-8-2-1-5-9-17-14/h3-4,6-7,17H,1-2,5,8-9H2/b14-12-