N4-[(2-chlorophenyl)methyl]-N1-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide

Systemtic Name: N4-[(2-chlorophenyl)methyl]-N1-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide Openeye Name: N4-[(2-chlorophenyl)methyl]-N1-(m-tolyl)-1,4-diazepane-1,4-dicarboxamide CAS Name: N4-[(2-chlorophenyl)methyl]-N1-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide IUPAC Name: 4-N-[(2-chlorophenyl)methyl]-1-N-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide Traditional Name: N'-(2-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=C3Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3Cl

InChI

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