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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethyl]urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethyl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethyl]urea Formula: C29H36F6N4O2 MolecularWeight: 586.612159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCCN(CC3)C4CCCCC4

InChI

InChI=1S/C29H36F6N4O2/c1-41-26-11-6-5-10-24(26)25(39-13-7-12-38(14-15-39)23-8-3-2-4-9-23)19-36-27(40)37-22-17-20(28(30,31)32)16-21(18-22)29(33,34)35/h5-6,10-11,16-18,23,25H,2-4,7-9,12-15,19H2,1H3,(H2,36,37,40)