N-(2-ethyl-6-methyl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C23H31N3O MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C

InChI

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