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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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