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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H21N3O2
Molecular Weight 275.3461
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LLNL-02

SMILES

C[C@@H](CN1CCCC2=C(C1)C=CC=C2)NC(=O)\C=N\O

InChI

InChIKey=VGSLVDUZHCKPJC-RGZVIEDOSA-N
InChI=1S/C15H21N3O2/c1-12(17-15(19)9-16-20)10-18-8-4-7-13-5-2-3-6-14(13)11-18/h2-3,5-6,9,12,20H,4,7-8,10-11H2,1H3,(H,17,19)/b16-9+/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H21N3O2
Molecular Weight 275.3461
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:05:46 UTC 2023
Edited
by admin
on Sat Dec 16 19:05:46 UTC 2023
Record UNII
JAJ5K83HJC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LLNL-02
Code English
(2E)-2-(HYDROXYIMINO)-N-((2S)-1-(1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL)PROPAN-2-YL)ACETAMIDE
Common Name English
Code System Code Type Description
CHEBI
180652
Created by admin on Sat Dec 16 19:05:46 UTC 2023 , Edited by admin on Sat Dec 16 19:05:46 UTC 2023
PRIMARY
PUBCHEM
138651683
Created by admin on Sat Dec 16 19:05:46 UTC 2023 , Edited by admin on Sat Dec 16 19:05:46 UTC 2023
PRIMARY
FDA UNII
JAJ5K83HJC
Created by admin on Sat Dec 16 19:05:46 UTC 2023 , Edited by admin on Sat Dec 16 19:05:46 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
Promising, novel CNS-permeable oxime ACHE reactivator.