1-[[4-[2-(3-bromanylphenoxy)ethoxy]-3-methoxy-phenyl]methyl]-4-pyridin-2-yl-piperazine

Systemtic Name: 1-[[4-[2-(3-bromanylphenoxy)ethoxy]-3-methoxy-phenyl]methyl]-4-pyridin-2-yl-piperazine Openeye Name: 1-[[4-[2-(3-bromophenoxy)ethoxy]-3-methoxy-phenyl]methyl]-4-(2-pyridyl)piperazine CAS Name: 1-[[4-[2-(3-bromophenoxy)ethoxy]-3-methoxyphenyl]methyl]-4-(2-pyridinyl)piperazine IUPAC Name: 1-[[4-[2-(3-bromophenoxy)ethoxy]-3-methoxyphenyl]methyl]-4-pyridin-2-ylpiperazine Traditional Name: 1-[4-[2-(3-bromophenoxy)ethoxy]-3-methoxy-benzyl]-4-(2-pyridyl)piperazine Formula: C25H28BrN3O3 MolecularWeight: 498.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=N3)OCCOC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=N3)OCCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H28BrN3O3/c1-30-24-17-20(19-28-11-13-29(14-12-28)25-7-2-3-10-27-25)8-9-23(24)32-16-15-31-22-6-4-5-21(26)18-22/h2-10,17-18H,11-16,19H2,1H3