1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-ethyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-ethyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea Openeye Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-ethyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea CAS Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-phenylethyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea IUPAC Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenylethyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-phenyl-2-(4-piperonylpiperazino)ethyl]urea Formula: C29H28F6N4O3 MolecularWeight: 594.548039

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(CNC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(CNC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C29H28F6N4O3/c30-28(31,32)21-13-22(29(33,34)35)15-23(14-21)37-27(40)36-16-24(20-4-2-1-3-5-20)39-10-8-38(9-11-39)17-19-6-7-25-26(12-19)42-18-41-25/h1-7,12-15,24H,8-11,16-18H2,(H2,36,37,40)