2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4/c1-28-20-14-19(15-21(29-2)23(20)30-3)24-22(27)17-26-11-7-10-25(12-13-26)16-18-8-5-4-6-9-18/h4-6,8-9,14-15H,7,10-13,16-17H2,1-3H3,(H,24,27)