4-(azepan-1-ylmethyl)-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-(azepan-1-ylmethyl)-3-chloranyl-benzenecarbonitrile Openeye Name: 4-(azepan-1-ylmethyl)-3-chloro-benzonitrile CAS Name: 4-(1-azepanylmethyl)-3-chlorobenzonitrile IUPAC Name: 4-(azepan-1-ylmethyl)-3-chlorobenzonitrile Traditional Name: 4-(azepan-1-ylmethyl)-3-chloro-benzonitrile Formula: C14H17ClN2 MolecularWeight: 248.75118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C14H17ClN2/c15-14-9-12(10-16)5-6-13(14)11-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,11H2