U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C17H23N5O2
Molecular Weight 329.3968
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Anastrozole Diamide

SMILES

CC(C)(C(N)=O)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C(N)=O

InChI

InChIKey=TYBRTLOLPFAUSB-UHFFFAOYSA-N
InChI=1S/C17H23N5O2/c1-16(2,14(18)23)12-5-11(8-22-10-20-9-21-22)6-13(7-12)17(3,4)15(19)24/h5-7,9-10H,8H2,1-4H3,(H2,18,23)(H2,19,24)

HIDE SMILES / InChI

Molecular Formula C17H23N5O2
Molecular Weight 329.3968
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:36:09 GMT 2025
Edited
by admin
on Wed Apr 02 17:36:09 GMT 2025
Record UNII
X6NH8N6R76
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Benzenediacetamide, ?,?,??,??-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-
Preferred Name English
Anastrozole Diamide
Common Name English
1,3-Benzenediacetamide, ?<sup>1</sup>,?<sup>1</sup>,?<sup>3</sup>,?<sup>3</sup>-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-
Systematic Name English
?<sup>1</sup>,?<sup>1</sup>,?<sup>3</sup>,?<sup>3</sup>-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-benzenediacetamide
Systematic Name English
Code System Code Type Description
CAS
120512-04-1
Created by admin on Wed Apr 02 17:36:09 GMT 2025 , Edited by admin on Wed Apr 02 17:36:09 GMT 2025
PRIMARY
FDA UNII
X6NH8N6R76
Created by admin on Wed Apr 02 17:36:09 GMT 2025 , Edited by admin on Wed Apr 02 17:36:09 GMT 2025
PRIMARY
PUBCHEM
19349405
Created by admin on Wed Apr 02 17:36:09 GMT 2025 , Edited by admin on Wed Apr 02 17:36:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID701137025
Created by admin on Wed Apr 02 17:36:09 GMT 2025 , Edited by admin on Wed Apr 02 17:36:09 GMT 2025
PRIMARY