3-(4-bromanyl-3-methyl-phenoxy)-1-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-bromanyl-3-methyl-phenoxy)-1-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-bromo-3-methyl-phenoxy)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromo-3-methylphenoxy)-1-[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-bromo-3-methylphenoxy)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-bromo-3-methyl-phenoxy)-1-[4-(4-hydroxybenzoyl)piperazino]propan-1-one Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4/c1-15-14-18(6-7-19(15)22)28-13-8-20(26)23-9-11-24(12-10-23)21(27)16-2-4-17(25)5-3-16/h2-7,14,25H,8-13H2,1H3