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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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