4-[2-(4-chlorophenyl)ethanoyl]-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-(4-chlorophenyl)ethanoyl]-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(4-chlorophenyl)acetyl]-N-(p-tolylmethyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(4-chlorophenyl)-1-oxoethyl]-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(4-chlorophenyl)acetyl]-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(4-chlorophenyl)acetyl]-N-(4-methylbenzyl)-1,4-diazepane-1-carboxamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)N2CCCN(CC2)C(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N2CCCN(CC2)C(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-17-3-5-19(6-4-17)16-24-22(28)26-12-2-11-25(13-14-26)21(27)15-18-7-9-20(23)10-8-18/h3-10H,2,11-16H2,1H3,(H,24,28)