N-(3-methylphenyl)-4-[(3-methylphenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-[(3-methylphenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(m-tolyl)-4-(m-tolylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[(3-methylphenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-methylphenyl)-4-[(3-methylphenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-methylbenzyl)-N-(m-tolyl)-1,4-diazepane-1-carboxamide Formula: C21H27N3O MolecularWeight: 337.45858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C21H27N3O/c1-17-6-3-8-19(14-17)16-23-10-5-11-24(13-12-23)21(25)22-20-9-4-7-18(2)15-20/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3,(H,22,25)