1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea

Systemtic Name: 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea Openeye Name: 1-(2-adamantyl)-3-(2,3,4-trifluorophenyl)urea CAS Name: 1-(2-adamantyl)-3-(2,3,4-trifluorophenyl)urea IUPAC Name: 1-(2-adamantyl)-3-(2,3,4-trifluorophenyl)urea Traditional Name: 1-(2-adamantyl)-3-(2,3,4-trifluorophenyl)urea Formula: C17H19F3N2O MolecularWeight: 324.34077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)