2-(4-bromanyl-2-tert-butyl-phenoxy)-1-[4-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-phenoxy)-1-[4-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-bromo-2-tert-butyl-phenoxy)-1-[4-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-bromo-2-tert-butylphenoxy)-1-[4-[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-bromo-2-tert-butylphenoxy)-1-[4-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-bromo-2-tert-butyl-phenoxy)-1-[4-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]-1,4-diazepan-1-yl]ethanone Formula: C29H38Br2N2O4 MolecularWeight: 638.43102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)N2CCCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)N2CCCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C

InChI

InChI=1S/C29H38Br2N2O4/c1-28(2,3)22-16-20(30)8-10-24(22)36-18-26(34)32-12-7-13-33(15-14-32)27(35)19-37-25-11-9-21(31)17-23(25)29(4,5)6/h8-11,16-17H,7,12-15,18-19H2,1-6H3