N-tert-butyl-2-[4-[2-(2,3-dimethylphenoxy)ethanoyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(2,3-dimethylphenoxy)ethanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(2,3-dimethylphenoxy)-1-oxoethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C21H33N3O3 MolecularWeight: 375.50502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C)C

InChI

InChI=1S/C21H33N3O3/c1-16-8-6-9-18(17(16)2)27-15-20(26)24-11-7-10-23(12-13-24)14-19(25)22-21(3,4)5/h6,8-9H,7,10-15H2,1-5H3,(H,22,25)