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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20Cl2N4O2
Molecular Weight 419.304
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1,1-DIMETHOXYACETONE (7-CHLORO-5-(2-CHLOROPHENYL)-3H-1,4-BENZODIAZEPIN-2-YL)HYDRAZONE

SMILES

COC(OC)C(\C)=N\NC1=NC2=CC=C(Cl)C=C2C(=NC1)C3=CC=CC=C3Cl

InChI

InChIKey=WUCKKJHMSZOXLN-BRJLIKDPSA-N
InChI=1S/C20H20Cl2N4O2/c1-12(20(27-2)28-3)25-26-18-11-23-19(14-6-4-5-7-16(14)22)15-10-13(21)8-9-17(15)24-18/h4-10,20H,11H2,1-3H3,(H,24,26)/b25-12+

HIDE SMILES / InChI

Molecular Formula C20H20Cl2N4O2
Molecular Weight 419.304
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:03:27 GMT 2025
Edited
by admin
on Tue Apr 01 20:03:27 GMT 2025
Record UNII
UP9UWU3DUM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-304689
Preferred Name English
1,1-DIMETHOXYACETONE (7-CHLORO-5-(2-CHLOROPHENYL)-3H-1,4-BENZODIAZEPIN-2-YL)HYDRAZONE
Systematic Name English
2-PROPANONE, 1,1-DIMETHOXY-, 2-(7-CHLORO-5-(2-CHLOROPHENYL)-3H-1,4-BENZODIAZEPIN-2-YL)HYDRAZONE
Systematic Name English
Code System Code Type Description
CAS
65867-88-1
Created by admin on Tue Apr 01 20:03:27 GMT 2025 , Edited by admin on Tue Apr 01 20:03:27 GMT 2025
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NSC
304689
Created by admin on Tue Apr 01 20:03:27 GMT 2025 , Edited by admin on Tue Apr 01 20:03:27 GMT 2025
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PUBCHEM
9555358
Created by admin on Tue Apr 01 20:03:27 GMT 2025 , Edited by admin on Tue Apr 01 20:03:27 GMT 2025
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FDA UNII
UP9UWU3DUM
Created by admin on Tue Apr 01 20:03:27 GMT 2025 , Edited by admin on Tue Apr 01 20:03:27 GMT 2025
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EPA CompTox
DTXSID70984348
Created by admin on Tue Apr 01 20:03:27 GMT 2025 , Edited by admin on Tue Apr 01 20:03:27 GMT 2025
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