1-(1-adamantyl)-3-[2-chloranyl-4,5-bis(fluoranyl)phenyl]-1-methyl-urea

Systemtic Name: 1-(1-adamantyl)-3-[2-chloranyl-4,5-bis(fluoranyl)phenyl]-1-methyl-urea Openeye Name: 1-(1-adamantyl)-3-(2-chloro-4,5-difluoro-phenyl)-1-methyl-urea CAS Name: 1-(1-adamantyl)-3-(2-chloro-4,5-difluorophenyl)-1-methylurea IUPAC Name: 1-(1-adamantyl)-3-(2-chloro-4,5-difluorophenyl)-1-methylurea Traditional Name: 1-(1-adamantyl)-3-(2-chloro-4,5-difluoro-phenyl)-1-methyl-urea Formula: C18H21ClF2N2O MolecularWeight: 354.821946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NC1=CC(=C(C=C1Cl)F)F)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C(=O)NC1=CC(=C(C=C1Cl)F)F)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H21ClF2N2O/c1-23(17(24)22-16-6-15(21)14(20)5-13(16)19)18-7-10-2-11(8-18)4-12(3-10)9-18/h5-6,10-12H,2-4,7-9H2,1H3,(H,22,24)