(Q27096568)

1-[(3s,5s,7s)-Adamantan-1-yl]-2-(1H-imidazol-1-yl)ethanone (English)

19 October 2016

chemical formula

C₁₅H₂₀N₂O

1 reference

stated in

RCSB protein data bank

PDB ligand ID

AD8

16 February 2021

canonical SMILES

C=1N=CN(C1)CC(=O)C23CC4CC(C2)CC(C3)C4

1 reference

1-[(3s,5s,7s)-Adamantan-1-yl]-2-(1H-imidazol-1-yl)ethanone (English)

19 October 2016

isomeric SMILES

C=1N=CN(C1)CC(=O)[C@@]23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4

1 reference

1-[(3s,5s,7s)-Adamantan-1-yl]-2-(1H-imidazol-1-yl)ethanone (English)

InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2/t11-,12+,13-,15-

19 October 2016

Identifiers

InChI

1 reference

1-[(3s,5s,7s)-Adamantan-1-yl]-2-(1H-imidazol-1-yl)ethanone (English)

BBCQJSMDKDHVKG-BVMXXOESSA-N

19 October 2016

InChIKey

1 reference

1-[(3s,5s,7s)-Adamantan-1-yl]-2-(1H-imidazol-1-yl)ethanone (English)

19 October 2016

1 reference

1-[(3s,5s,7s)-Adamantan-1-yl]-2-(1H-imidazol-1-yl)ethanone (English)

matched by identifier from

19 October 2016

DrugBank ID

07342

1 reference

InChIKey

BBCQJSMDKDHVKG-BVMXXOESSA-N

0 references

0 references

1 reference

3CZY (English)