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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]acetamide Formula: C22H22ClN5O MolecularWeight: 407.89598

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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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O/c23-21-12-20(7-6-19(21)14-25)26-22(29)16-28-9-1-8-27(10-11-28)15-18-4-2-17(13-24)3-5-18/h2-7,12H,1,8-11,15-16H2,(H,26,29)