1-(1,3-benzodioxol-4-yl)-4,4-dimethyl-2-(5-oxidanyl-2-adamantyl)-1,2-diazetidin-3-one

Systemtic Name: 1-(1,3-benzodioxol-4-yl)-4,4-dimethyl-2-(5-oxidanyl-2-adamantyl)-1,2-diazetidin-3-one Openeye Name: 1-(1,3-benzodioxol-4-yl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyl-diazetidin-3-one CAS Name: 1-(1,3-benzodioxol-4-yl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyl-3-diazetidinone IUPAC Name: 1-(1,3-benzodioxol-4-yl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one Traditional Name: 1-(1,3-benzodioxol-4-yl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyl-diazetidin-3-one Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(N1C2=C3C(=CC=C2)OCO3)C4C5CC6CC4CC(C6)(C5)O)C

Isomeric SMILES

CC1(C(=O)N(N1C2=C3C(=CC=C2)OCO3)C4C5CC6CC4CC(C6)(C5)O)C

InChI

InChI=1S/C21H26N2O4/c1-20(2)19(24)22(23(20)15-4-3-5-16-18(15)27-11-26-16)17-13-6-12-7-14(17)10-21(25,8-12)9-13/h3-5,12-14,17,25H,6-11H2,1-2H3