N-[2-(azepan-1-ylmethyl)-4-cyano-phenyl]ethanamide

Systemtic Name: N-[2-(azepan-1-ylmethyl)-4-cyano-phenyl]ethanamide Openeye Name: N-[2-(azepan-1-ylmethyl)-4-cyano-phenyl]acetamide CAS Name: N-[2-(1-azepanylmethyl)-4-cyanophenyl]acetamide IUPAC Name: N-[2-(azepan-1-ylmethyl)-4-cyanophenyl]acetamide Traditional Name: N-[2-(azepan-1-ylmethyl)-4-cyano-phenyl]acetamide Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C#N)CN2CCCCCC2

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C#N)CN2CCCCCC2

InChI

InChI=1S/C16H21N3O/c1-13(20)18-16-7-6-14(11-17)10-15(16)12-19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,12H2,1H3,(H,18,20)