3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(2-hydroxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(2-hydroxyphenyl)piperazino]propan-1-one Formula: C20H23BrN2O3 MolecularWeight: 419.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC=C3O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC=C3O)Br

InChI

InChI=1S/C20H23BrN2O3/c1-26-19-8-6-15(14-16(19)21)7-9-20(25)23-12-10-22(11-13-23)17-4-2-3-5-18(17)24/h2-6,8,14,24H,7,9-13H2,1H3