1-(4-bromanylphenoxy)-3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(4-bromanylphenoxy)-3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-bromophenoxy)-3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]propan-2-ol CAS Name: 1-(4-bromophenoxy)-3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-bromophenoxy)-3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol Traditional Name: 1-(4-bromophenoxy)-3-[4-(3-fluoro-4-methoxy-benzyl)piperazino]propan-2-ol Formula: C21H26BrFN2O3 MolecularWeight: 453.345143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(COC3=CC=C(C=C3)Br)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(COC3=CC=C(C=C3)Br)O)F

InChI

InChI=1S/C21H26BrFN2O3/c1-27-21-7-2-16(12-20(21)23)13-24-8-10-25(11-9-24)14-18(26)15-28-19-5-3-17(22)4-6-19/h2-7,12,18,26H,8-11,13-15H2,1H3