N4-[(3-chlorophenyl)methyl]-N1-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide

Systemtic Name: N4-[(3-chlorophenyl)methyl]-N1-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide Openeye Name: N4-[(3-chlorophenyl)methyl]-N1-(m-tolyl)-1,4-diazepane-1,4-dicarboxamide CAS Name: N4-[(3-chlorophenyl)methyl]-N1-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide IUPAC Name: 4-N-[(3-chlorophenyl)methyl]-1-N-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide Traditional Name: N'-(3-chlorobenzyl)-N-(m-tolyl)-1,4-diazepane-1,4-dicarboxamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-16-5-2-8-19(13-16)24-21(28)26-10-4-9-25(11-12-26)20(27)23-15-17-6-3-7-18(22)14-17/h2-3,5-8,13-14H,4,9-12,15H2,1H3,(H,23,27)(H,24,28)