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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-phenethylpiperazin-1-yl)-2-phenyl-ethyl]urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-phenethylpiperazin-1-yl)-2-phenyl-ethyl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-phenethyl-1-piperazinyl)-2-phenylethyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-phenethylpiperazin-1-yl)-2-phenylethyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-phenethylpiperazino)-2-phenyl-ethyl]urea Formula: C29H30F6N4O MolecularWeight: 564.565119

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(CNC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(CNC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C29H30F6N4O/c30-28(31,32)23-17-24(29(33,34)35)19-25(18-23)37-27(40)36-20-26(22-9-5-2-6-10-22)39-15-13-38(14-16-39)12-11-21-7-3-1-4-8-21/h1-10,17-19,26H,11-16,20H2,(H2,36,37,40)