2-[4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[2-acetamido-3-(3,4-dimethoxyphenyl)-1-oxopropyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C28H38N4O5 MolecularWeight: 510.62512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H38N4O5/c1-21(33)30-24(18-23-10-11-25(36-2)26(19-23)37-3)28(35)32-15-7-14-31(16-17-32)20-27(34)29-13-12-22-8-5-4-6-9-22/h4-6,8-11,19,24H,7,12-18,20H2,1-3H3,(H,29,34)(H,30,33)