2-[4-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[3-(4-bromophenoxy)-2-hydroxypropyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazino]-N-(2,6-dimethylphenyl)acetamide Formula: C23H30BrN3O3 MolecularWeight: 476.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C23H30BrN3O3/c1-17-4-3-5-18(2)23(17)25-22(29)15-27-12-10-26(11-13-27)14-20(28)16-30-21-8-6-19(24)7-9-21/h3-9,20,28H,10-16H2,1-2H3,(H,25,29)