N-(2,6-dimethylphenyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]acetamide Formula: C23H31N3O MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C23H31N3O/c1-18-8-4-5-11-21(18)16-25-12-7-13-26(15-14-25)17-22(27)24-23-19(2)9-6-10-20(23)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,24,27)