2-(2-bromanyl-4-tert-butyl-phenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4-tert-butyl-phenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-bromo-4-tert-butyl-phenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone CAS Name: 2-(2-bromo-4-tert-butylphenoxy)-1-[4-(3-chlorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4-tert-butylphenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-bromo-4-tert-butyl-phenoxy)-1-[4-(3-chlorophenyl)piperazino]ethanone Formula: C22H26BrClN2O2 MolecularWeight: 465.81104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrClN2O2/c1-22(2,3)16-7-8-20(19(23)13-16)28-15-21(27)26-11-9-25(10-12-26)18-6-4-5-17(24)14-18/h4-8,13-14H,9-12,15H2,1-3H3