3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)O)Br

InChI

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