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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)-3-phenyl-propyl]urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)-3-phenyl-propyl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexyl-1-piperazinyl)-3-phenylpropyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)-3-phenylpropyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazino)-3-phenyl-propyl]urea Formula: C28H34F6N4O MolecularWeight: 556.586179

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(CC3=CC=CC=C3)CNC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(CC3=CC=CC=C3)CNC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C28H34F6N4O/c29-27(30,31)21-16-22(28(32,33)34)18-23(17-21)36-26(39)35-19-25(15-20-7-3-1-4-8-20)38-13-11-37(12-14-38)24-9-5-2-6-10-24/h1,3-4,7-8,16-18,24-25H,2,5-6,9-15,19H2,(H2,35,36,39)