1-(2-adamantyl)-4-[3,4-bis(fluoranyl)phenyl]-3,3-dimethyl-azetidin-2-one

Systemtic Name: 1-(2-adamantyl)-4-[3,4-bis(fluoranyl)phenyl]-3,3-dimethyl-azetidin-2-one Openeye Name: 1-(2-adamantyl)-4-(3,4-difluorophenyl)-3,3-dimethyl-azetidin-2-one CAS Name: 1-(2-adamantyl)-4-(3,4-difluorophenyl)-3,3-dimethyl-2-azetidinone IUPAC Name: 1-(2-adamantyl)-4-(3,4-difluorophenyl)-3,3-dimethylazetidin-2-one Traditional Name: 1-(2-adamantyl)-4-(3,4-difluorophenyl)-3,3-dimethyl-azetidin-2-one Formula: C21H25F2NO MolecularWeight: 345.426106

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C1=O)C2C3CC4CC(C3)CC2C4)C5=CC(=C(C=C5)F)F)C

Isomeric SMILES

CC1(C(N(C1=O)C2C3CC4CC(C3)CC2C4)C5=CC(=C(C=C5)F)F)C

InChI

InChI=1S/C21H25F2NO/c1-21(2)19(13-3-4-16(22)17(23)10-13)24(20(21)25)18-14-6-11-5-12(8-14)9-15(18)7-11/h3-4,10-12,14-15,18-19H,5-9H2,1-2H3