N-[2-(azepan-1-ylcarbonyl)phenyl]-2-(4-bromanyl-2-tert-butyl-phenoxy)ethanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-(4-bromanyl-2-tert-butyl-phenoxy)ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-tert-butyl-phenoxy)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(4-bromo-2-tert-butylphenoxy)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-tert-butylphenoxy)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-tert-butyl-phenoxy)acetamide Formula: C25H31BrN2O3 MolecularWeight: 487.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C25H31BrN2O3/c1-25(2,3)20-16-18(26)12-13-22(20)31-17-23(29)27-21-11-7-6-10-19(21)24(30)28-14-8-4-5-9-15-28/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,27,29)