2-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(5-bromo-2-hydroxy-benzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(5-bromo-2-hydroxybenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(5-bromo-2-hydroxy-benzoyl)piperazino]-N-(2,6-dimethylphenyl)acetamide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3/c1-14-4-3-5-15(2)20(14)23-19(27)13-24-8-10-25(11-9-24)21(28)17-12-16(22)6-7-18(17)26/h3-7,12,26H,8-11,13H2,1-2H3,(H,23,27)