2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)ethanamine

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)ethanamine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)ethanamine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)ethanamine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)ethanamine Traditional Name: [3,5-bis(trifluoromethyl)benzyl]-[2-(2-methoxyphenyl)-2-(4-piperonylpiperazino)ethyl]amine Formula: C30H31F6N3O3 MolecularWeight: 595.575859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1C(CNCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H31F6N3O3/c1-40-26-5-3-2-4-24(26)25(17-37-16-21-12-22(29(31,32)33)15-23(13-21)30(34,35)36)39-10-8-38(9-11-39)18-20-6-7-27-28(14-20)42-19-41-27/h2-7,12-15,25,37H,8-11,16-19H2,1H3