N-tert-butyl-2-[4-[(5-ethanoyl-2-methoxy-phenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(5-ethanoyl-2-methoxy-phenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[(5-acetyl-2-methoxy-phenyl)methyl]-1,4-diazepan-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(5-acetyl-2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-[(5-acetyl-2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(5-acetyl-2-methoxy-benzyl)-1,4-diazepan-1-yl]-N-tert-butyl-acetamide Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2CCCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2CCCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H33N3O3/c1-16(25)17-7-8-19(27-5)18(13-17)14-23-9-6-10-24(12-11-23)15-20(26)22-21(2,3)4/h7-8,13H,6,9-12,14-15H2,1-5H3,(H,22,26)