1-(2-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(2-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]urea Openeye Name: 1-(2-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]urea CAS Name: 1-(2-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]urea IUPAC Name: 1-(2-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]urea Traditional Name: 1-(2-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]urea Formula: C19H20F6N2O MolecularWeight: 406.365319

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H20F6N2O/c20-18(21,22)13-6-14(19(23,24)25)8-15(7-13)26-17(28)27-16-11-2-9-1-10(4-11)5-12(16)3-9/h6-12,16H,1-5H2,(H2,26,27,28)