2-(4-bromanylphenoxy)-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-bromophenoxy)-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-bromophenoxy)-1-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-bromophenoxy)-1-(4-p-toluoylpiperazino)propan-1-one Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O3/c1-15-3-5-17(6-4-15)21(26)24-13-11-23(12-14-24)20(25)16(2)27-19-9-7-18(22)8-10-19/h3-10,16H,11-14H2,1-2H3