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

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-bromo-2-tert-butyl-phenoxy)ethanone CAS Name: 2-(4-bromo-2-tert-butylphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-bromo-2-tert-butylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(4-bromo-2-tert-butyl-phenoxy)ethanone Formula: C23H29BrN2O2 MolecularWeight: 445.39256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O2/c1-23(2,3)20-15-19(24)9-10-21(20)28-17-22(27)26-13-11-25(12-14-26)16-18-7-5-4-6-8-18/h4-10,15H,11-14,16-17H2,1-3H3