2-(4-bromanylphenoxy)-N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]acetamide Formula: C26H25BrClN3O3 MolecularWeight: 542.852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrClN3O3/c1-18-5-7-19(8-6-18)26(33)31-15-13-30(14-16-31)25-22(28)3-2-4-23(25)29-24(32)17-34-21-11-9-20(27)10-12-21/h2-12H,13-17H2,1H3,(H,29,32)