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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21Cl2N5O2
Molecular Weight 446.33
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGP-11952

SMILES

CCNC(=O)C1=NN(C(CN(C)C)=N1)C2=C(C=C(Cl)C=C2)C(=O)C3=CC=CC=C3Cl

InChI

InChIKey=IRQLQRRQIHFEOV-UHFFFAOYSA-N
InChI=1S/C21H21Cl2N5O2/c1-4-24-21(30)20-25-18(12-27(2)3)28(26-20)17-10-9-13(22)11-15(17)19(29)14-7-5-6-8-16(14)23/h5-11H,4,12H2,1-3H3,(H,24,30)

HIDE SMILES / InChI

Molecular Formula C21H21Cl2N5O2
Molecular Weight 446.33
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 Fri Dec 15 19:12:17 GMT 2023
Edited
by admin
on Fri Dec 15 19:12:17 GMT 2023
Record UNII
CV230G3U1Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP-11952
Common Name English
1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE, 1-(4-CHLORO-2-(2-CHLOROBENZOYL)PHENYL)-5-((DIMETHYLAMINO)METHYL)-N-ETHYL-
Systematic Name English
1-(4-CHLORO-2-(2-CHLOROBENZOYL)PHENYL)-5-((DIMETHYLAMINO)METHYL)-N-ETHYL-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
174018
Created by admin on Fri Dec 15 19:12:17 GMT 2023 , Edited by admin on Fri Dec 15 19:12:17 GMT 2023
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FDA UNII
CV230G3U1Q
Created by admin on Fri Dec 15 19:12:17 GMT 2023 , Edited by admin on Fri Dec 15 19:12:17 GMT 2023
PRIMARY
CAS
64078-09-7
Created by admin on Fri Dec 15 19:12:17 GMT 2023 , Edited by admin on Fri Dec 15 19:12:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID50214271
Created by admin on Fri Dec 15 19:12:17 GMT 2023 , Edited by admin on Fri Dec 15 19:12:17 GMT 2023
PRIMARY