2-(2-adamantyl)-4-butyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1,2-diazetidin-3-one

Systemtic Name: 2-(2-adamantyl)-4-butyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1,2-diazetidin-3-one Openeye Name: 2-(2-adamantyl)-4-butyl-1-[[2-(trifluoromethyl)phenyl]methyl]diazetidin-3-one CAS Name: 2-(2-adamantyl)-4-butyl-1-[[2-(trifluoromethyl)phenyl]methyl]-3-diazetidinone IUPAC Name: 2-(2-adamantyl)-4-butyl-1-[[2-(trifluoromethyl)phenyl]methyl]diazetidin-3-one Traditional Name: 2-(2-adamantyl)-4-butyl-1-[2-(trifluoromethyl)benzyl]diazetidin-3-one Formula: C24H31F3N2O MolecularWeight: 420.51095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(N1CC2=CC=CC=C2C(F)(F)F)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCCCC1C(=O)N(N1CC2=CC=CC=C2C(F)(F)F)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H31F3N2O/c1-2-3-8-21-23(30)29(22-18-10-15-9-16(12-18)13-19(22)11-15)28(21)14-17-6-4-5-7-20(17)24(25,26)27/h4-7,15-16,18-19,21-22H,2-3,8-14H2,1H3