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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H15F3N4O2
Molecular Weight 400.3539
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AB-836

SMILES

C[C@@H](N(C)C(=O)NC1=CC(C#N)=C(F)C=C1)C2=CNC(=O)C3=C2C=C(F)C(F)=C3

InChI

InChIKey=WKCMLORRPISTPL-SNVBAGLBSA-N
InChI=1S/C20H15F3N4O2/c1-10(15-9-25-19(28)14-7-18(23)17(22)6-13(14)15)27(2)20(29)26-12-3-4-16(21)11(5-12)8-24/h3-7,9-10H,1-2H3,(H,25,28)(H,26,29)/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H15F3N4O2
Molecular Weight 400.3539
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:19:51 UTC 2023
Edited
by admin
on Sat Dec 16 19:19:51 UTC 2023
Record UNII
MHY5H5WMW6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AB-836
Code English
N′-(3-Cyano-4-fluorophenyl)-N-[(1R)-1-(6,7-difluoro-1,2-dihydro-1-oxo-4-isoquinolinyl)ethyl]-N-methylurea
Systematic Name English
Urea, N′-(3-cyano-4-fluorophenyl)-N-[(1R)-1-(6,7-difluoro-1,2-dihydro-1-oxo-4-isoquinolinyl)ethyl]-N-methyl-
Systematic Name English
Code System Code Type Description
FDA UNII
MHY5H5WMW6
Created by admin on Sat Dec 16 19:19:51 UTC 2023 , Edited by admin on Sat Dec 16 19:19:51 UTC 2023
PRIMARY
PUBCHEM
152274851
Created by admin on Sat Dec 16 19:19:51 UTC 2023 , Edited by admin on Sat Dec 16 19:19:51 UTC 2023
PRIMARY
CAS
2445597-31-7
Created by admin on Sat Dec 16 19:19:51 UTC 2023 , Edited by admin on Sat Dec 16 19:19:51 UTC 2023
PRIMARY
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