2-(2-adamantyl)-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]carbonyl-1,2-diazetidin-3-one

Systemtic Name: 2-(2-adamantyl)-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]carbonyl-1,2-diazetidin-3-one Openeye Name: 2-(2-adamantyl)-4,4-dimethyl-1-[4-(trifluoromethyl)benzoyl]diazetidin-3-one CAS Name: 2-(2-adamantyl)-4,4-dimethyl-1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-3-diazetidinone IUPAC Name: 2-(2-adamantyl)-4,4-dimethyl-1-[4-(trifluoromethyl)benzoyl]diazetidin-3-one Traditional Name: 2-(2-adamantyl)-4,4-dimethyl-1-[4-(trifluoromethyl)benzoyl]diazetidin-3-one Formula: C22H25F3N2O2 MolecularWeight: 406.44131

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(N1C(=O)C2=CC=C(C=C2)C(F)(F)F)C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1(C(=O)N(N1C(=O)C2=CC=C(C=C2)C(F)(F)F)C3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C22H25F3N2O2/c1-21(2)20(29)26(18-15-8-12-7-13(10-15)11-16(18)9-12)27(21)19(28)14-3-5-17(6-4-14)22(23,24)25/h3-6,12-13,15-16,18H,7-11H2,1-2H3