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

Systemtic Name: 2-(2-bromanyl-4,6-dimethyl-phenoxy)-N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(2-bromo-4,6-dimethylphenoxy)-N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(2-bromo-4,6-dimethylphenoxy)-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-N-[4-(4-o-toluoylpiperazino)phenyl]acetamide Formula: C28H30BrN3O3 MolecularWeight: 536.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4Br)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4Br)C)C

InChI

InChI=1S/C28H30BrN3O3/c1-19-16-21(3)27(25(29)17-19)35-18-26(33)30-22-8-10-23(11-9-22)31-12-14-32(15-13-31)28(34)24-7-5-4-6-20(24)2/h4-11,16-17H,12-15,18H2,1-3H3,(H,30,33)