2-[4-[2-(4-chlorophenyl)-2-cyano-ethyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[2-(4-chlorophenyl)-2-cyano-ethyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-(4-chlorophenyl)-2-cyano-ethyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[2-(4-chlorophenyl)-2-cyanoethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-(4-chlorophenyl)-2-cyanoethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[2-(4-chlorophenyl)-2-cyano-ethyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C24H29ClN4O MolecularWeight: 424.96626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NCCC2=CC=CC=C2)CC(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NCCC2=CC=CC=C2)CC(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H29ClN4O/c25-23-9-7-21(8-10-23)22(17-26)18-28-13-4-14-29(16-15-28)19-24(30)27-12-11-20-5-2-1-3-6-20/h1-3,5-10,22H,4,11-16,18-19H2,(H,27,30)