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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)COC4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)COC4=CC=C(C=C4)Br)Cl

InChI

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