7-(cyanomethyl)-1-(phenylmethyl)azepane-3-carbonitrile

Systemtic Name: 7-(cyanomethyl)-1-(phenylmethyl)azepane-3-carbonitrile Openeye Name: 1-benzyl-7-(cyanomethyl)azepane-3-carbonitrile CAS Name: 7-(cyanomethyl)-1-(phenylmethyl)-3-azepanecarbonitrile IUPAC Name: 1-benzyl-7-(cyanomethyl)azepane-3-carbonitrile Traditional Name: 1-benzyl-7-(cyanomethyl)azepane-3-carbonitrile Formula: C16H19N3 MolecularWeight: 253.34216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C(C1)CC#N)CC2=CC=CC=C2)C#N

Isomeric SMILES

C1CC(CN(C(C1)CC#N)CC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H19N3/c17-10-9-16-8-4-7-15(11-18)13-19(16)12-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-9,12-13H2