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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)-2-phenyl-ethyl]urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)-2-phenyl-ethyl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexyl-1-piperazinyl)-2-phenylethyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazino)-2-phenyl-ethyl]urea Formula: C27H32F6N4O MolecularWeight: 542.559599

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(CNC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(CNC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C27H32F6N4O/c28-26(29,30)20-15-21(27(31,32)33)17-22(16-20)35-25(38)34-18-24(19-7-3-1-4-8-19)37-13-11-36(12-14-37)23-9-5-2-6-10-23/h1,3-4,7-8,15-17,23-24H,2,5-6,9-14,18H2,(H2,34,35,38)