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

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-phenoxy)-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-bromo-2-tert-butyl-phenoxy)ethanone CAS Name: 2-(4-bromo-2-tert-butylphenoxy)-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-bromo-2-tert-butylphenoxy)ethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-(4-bromo-2-tert-butyl-phenoxy)ethanone Formula: C29H33BrN2O2 MolecularWeight: 521.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33BrN2O2/c1-29(2,3)25-20-24(30)14-15-26(25)34-21-27(33)31-16-18-32(19-17-31)28(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,28H,16-19,21H2,1-3H3