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

Systemtic Name: 2-(2-adamantyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-4,4-dimethyl-1,2-diazetidin-3-one Openeye Name: 2-(2-adamantyl)-1-(1,3-benzodioxole-5-carbonyl)-4,4-dimethyl-diazetidin-3-one CAS Name: 2-(2-adamantyl)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4,4-dimethyl-3-diazetidinone IUPAC Name: 2-(2-adamantyl)-1-(1,3-benzodioxole-5-carbonyl)-4,4-dimethyldiazetidin-3-one Traditional Name: 2-(2-adamantyl)-4,4-dimethyl-1-piperonyloyl-diazetidin-3-one Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(N1C(=O)C2=CC3=C(C=C2)OCO3)C4C5CC6CC(C5)CC4C6)C

Isomeric SMILES

CC1(C(=O)N(N1C(=O)C2=CC3=C(C=C2)OCO3)C4C5CC6CC(C5)CC4C6)C

InChI

InChI=1S/C22H26N2O4/c1-22(2)21(26)23(19-15-6-12-5-13(8-15)9-16(19)7-12)24(22)20(25)14-3-4-17-18(10-14)28-11-27-17/h3-4,10,12-13,15-16,19H,5-9,11H2,1-2H3