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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[4-(2-cyclohexylethyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethyl]urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[4-(2-cyclohexylethyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethyl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[4-(2-cyclohexylethyl)-1-piperazinyl]-2-(2-methoxyphenyl)ethyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[4-(2-cyclohexylethyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[4-(2-cyclohexylethyl)piperazino]-2-(2-methoxyphenyl)ethyl]urea Formula: C30H38F6N4O2 MolecularWeight: 600.638739

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)CCC4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCN(CC3)CCC4CCCCC4

InChI

InChI=1S/C30H38F6N4O2/c1-42-27-10-6-5-9-25(27)26(40-15-13-39(14-16-40)12-11-21-7-3-2-4-8-21)20-37-28(41)38-24-18-22(29(31,32)33)17-23(19-24)30(34,35)36/h5-6,9-10,17-19,21,26H,2-4,7-8,11-16,20H2,1H3,(H2,37,38,41)