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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexyl-1-piperazinyl)-2-(2-methoxyphenyl)ethyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazino)-2-(2-methoxyphenyl)ethyl]urea Formula: C28H34F6N4O2 MolecularWeight: 572.585579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C28H34F6N4O2/c1-40-25-10-6-5-9-23(25)24(38-13-11-37(12-14-38)22-7-3-2-4-8-22)18-35-26(39)36-21-16-19(27(29,30)31)15-20(17-21)28(32,33)34/h5-6,9-10,15-17,22,24H,2-4,7-8,11-14,18H2,1H3,(H2,35,36,39)