N-(3-chloranyl-4-cyano-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4O/c22-20-13-19(8-7-18(20)14-23)24-21(27)16-26-10-4-9-25(11-12-26)15-17-5-2-1-3-6-17/h1-3,5-8,13H,4,9-12,15-16H2,(H,24,27)