2-(azepan-1-yl)-5-chloranyl-benzenecarbonitrile

Systemtic Name: 2-(azepan-1-yl)-5-chloranyl-benzenecarbonitrile Openeye Name: 2-(azepan-1-yl)-5-chloro-benzonitrile CAS Name: 2-(1-azepanyl)-5-chlorobenzonitrile IUPAC Name: 2-(azepan-1-yl)-5-chlorobenzonitrile Traditional Name: 2-(azepan-1-yl)-5-chloro-benzonitrile Formula: C13H15ClN2 MolecularWeight: 234.7246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)C#N

InChI

InChI=1S/C13H15ClN2/c14-12-5-6-13(11(9-12)10-15)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8H2