2-(2-bromanyl-4,6-ditert-butyl-phenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4,6-ditert-butyl-phenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(2-bromo-4,6-ditert-butyl-phenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(2-bromo-4,6-ditert-butylphenoxy)-1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4,6-ditert-butylphenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(2-bromo-4,6-ditert-butyl-phenoxy)-1-[4-(4-chlorobenzyl)piperazino]ethanone Formula: C27H36BrClN2O2 MolecularWeight: 535.94394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)Br)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Br)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(C)(C)C

InChI

InChI=1S/C27H36BrClN2O2/c1-26(2,3)20-15-22(27(4,5)6)25(23(28)16-20)33-18-24(32)31-13-11-30(12-14-31)17-19-7-9-21(29)10-8-19/h7-10,15-16H,11-14,17-18H2,1-6H3