2-(2-bromanyl-4,6-dimethyl-phenoxy)-N-[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4,6-dimethyl-phenoxy)-N-[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-bromo-4,6-dimethyl-phenoxy)acetamide CAS Name: N-[2-(4-benzoyl-1-piperazinyl)phenyl]-2-(2-bromo-4,6-dimethylphenoxy)acetamide IUPAC Name: N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-bromo-4,6-dimethylphenoxy)acetamide Traditional Name: N-[2-(4-benzoylpiperazino)phenyl]-2-(2-bromo-4,6-dimethyl-phenoxy)acetamide Formula: C27H28BrN3O3 MolecularWeight: 522.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28BrN3O3/c1-19-16-20(2)26(22(28)17-19)34-18-25(32)29-23-10-6-7-11-24(23)30-12-14-31(15-13-30)27(33)21-8-4-3-5-9-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,29,32)