1,5-bis(1-adamantyl)-3-(pyridin-3-ylmethyl)pentane-1,5-dione hydrobromide

Systemtic Name: 1,5-bis(1-adamantyl)-3-(pyridin-3-ylmethyl)pentane-1,5-dione hydrobromide Openeye Name: 1,5-bis(1-adamantyl)-3-(3-pyridylmethyl)pentane-1,5-dione hydrobromide CAS Name: 1,5-bis(1-adamantyl)-3-(3-pyridinylmethyl)pentane-1,5-dione hydrobromide IUPAC Name: 1,5-bis(1-adamantyl)-3-(pyridin-3-ylmethyl)pentane-1,5-dione hydrobromide Traditional Name: 1,5-bis(1-adamantyl)-3-(3-pyridylmethyl)pentane-1,5-dione hydrobromide Formula: C31H42BrNO2 MolecularWeight: 540.57468

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CC(CC4=CN=CC=C4)CC(=O)C56CC7CC(C5)CC(C7)C6.Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CC(CC4=CN=CC=C4)CC(=O)C56CC7CC(C5)CC(C7)C6.Br

InChI

InChI=1S/C31H41NO2.BrH/c33-28(30-13-22-5-23(14-30)7-24(6-22)15-30)11-21(4-20-2-1-3-32-19-20)12-29(34)31-16-25-8-26(17-31)10-27(9-25)18-31;/h1-3,19,21-27H,4-18H2;1H