(2E)-2-(azepan-2-ylidene)-2-(3-chlorophenyl)ethanenitrile

Systemtic Name: (2E)-2-(azepan-2-ylidene)-2-(3-chlorophenyl)ethanenitrile Openeye Name: (2E)-2-(azepan-2-ylidene)-2-(3-chlorophenyl)acetonitrile CAS Name: (2E)-2-(2-azepanylidene)-2-(3-chlorophenyl)acetonitrile IUPAC Name: (2E)-2-(azepan-2-ylidene)-2-(3-chlorophenyl)acetonitrile Traditional Name: (2E)-2-(azepan-2-ylidene)-2-(3-chlorophenyl)acetonitrile Formula: C14H15ClN2 MolecularWeight: 246.7353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2/c15-12-6-4-5-11(9-12)13(10-16)14-7-2-1-3-8-17-14/h4-6,9,17H,1-3,7-8H2/b14-13-