2-(3-bromanyl-1-adamantyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]ethanone Formula: C24H30BrNO3 MolecularWeight: 460.4039

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CC(N(C1)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C24H30BrNO3/c25-24-12-16-8-17(13-24)11-23(10-16,15-24)14-22(27)26-5-1-2-19(26)18-3-4-20-21(9-18)29-7-6-28-20/h3-4,9,16-17,19H,1-2,5-8,10-15H2