4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-bromanyl-6-methoxy-phenol

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-bromanyl-6-methoxy-phenol Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-bromo-6-methoxy-phenol CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-2-bromo-6-methoxyphenol IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-bromo-6-methoxyphenol Traditional Name: 2-bromo-6-methoxy-4-[(4-piperonylpiperazino)methyl]phenol Formula: C20H23BrN2O4 MolecularWeight: 435.31162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br)O

InChI

InChI=1S/C20H23BrN2O4/c1-25-19-10-15(8-16(21)20(19)24)12-23-6-4-22(5-7-23)11-14-2-3-17-18(9-14)27-13-26-17/h2-3,8-10,24H,4-7,11-13H2,1H3