1-[2-[2,6-bis(chloranyl)phenyl]-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[2-[2,6-bis(chloranyl)phenyl]-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethyl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexyl-1-piperazinyl)-2-(2,6-dichlorophenyl)ethyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazino)-2-(2,6-dichlorophenyl)ethyl]urea Formula: C27H30Cl2F6N4O MolecularWeight: 611.449719

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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=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(CNC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C27H30Cl2F6N4O/c28-21-7-4-8-22(29)24(21)23(39-11-9-38(10-12-39)20-5-2-1-3-6-20)16-36-25(40)37-19-14-17(26(30,31)32)13-18(15-19)27(33,34)35/h4,7-8,13-15,20,23H,1-3,5-6,9-12,16H2,(H2,36,37,40)