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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19N5
Molecular Weight 293.3663
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOANASTROZOLE

SMILES

CC(C)(C#N)C1=CC(=CC(CN2C=NN=C2)=C1)C(C)(C)C#N

InChI

InChIKey=UHMBCUNKPNNBSD-UHFFFAOYSA-N
InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-11-20-21-12-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
ISOANASTROZOLE
Common Name English
1,3-BENZENEDIACETONITRILE, .ALPHA.1,.ALPHA.1,.ALPHA.3,.ALPHA.3-TETRAMETHYL-5-(4H-1,2,4-TRIAZOL-4-YLMETHYL)-
Systematic Name English
ANASTROZOLE IMPURITY G [EP IMPURITY]
Common Name English
.ALPHA.1,.ALPHA.1,.ALPHA.3,.ALPHA.3-TETRAMETHYL-5-(4H-1,2,4-TRIAZOL-4-YLMETHYL)-1,3-BENZENEDIACETONITRILE
Systematic Name English
2,2-(5-(4H-1,2,4-TRIAZOL-4-YLMETHYL)BENZENE-1,3-DIYL)BIS(2-METHYLPROPANENITRILE)
Systematic Name English
Code System Code Type Description
FDA UNII
C5I6NC2KRH
Created by admin on Sat Dec 16 18:53:39 GMT 2023 , Edited by admin on Sat Dec 16 18:53:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID20720410
Created by admin on Sat Dec 16 18:53:39 GMT 2023 , Edited by admin on Sat Dec 16 18:53:39 GMT 2023
PRIMARY
PUBCHEM
23046242
Created by admin on Sat Dec 16 18:53:39 GMT 2023 , Edited by admin on Sat Dec 16 18:53:39 GMT 2023
PRIMARY
CAS
120511-92-4
Created by admin on Sat Dec 16 18:53:39 GMT 2023 , Edited by admin on Sat Dec 16 18:53:39 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of ISOANASTROZOLE
NIH
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