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Details

Stereochemistry ACHIRAL
Molecular Formula C14H16ClN3O2
Molecular Weight 293.749
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(4-chlorophenyl)methyl]-octahydropyrazolo[1,2-a][1,2,5]triazepine-1,5-dione

SMILES

ClC1=CC=C(CN2CC(=O)N3CCCN3C(=O)C2)C=C1

InChI

InChIKey=XWFGGHIYFIBTHQ-UHFFFAOYSA-N
InChI=1S/C14H16ClN3O2/c15-12-4-2-11(3-5-12)8-16-9-13(19)17-6-1-7-18(17)14(20)10-16/h2-5H,1,6-10H2

HIDE SMILES / InChI

Molecular Formula C14H16ClN3O2
Molecular Weight 293.749
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 Sat Dec 16 12:56:20 GMT 2023
Edited
by admin
on Sat Dec 16 12:56:20 GMT 2023
Record UNII
2ZF9376VCC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(4-chlorophenyl)methyl]-octahydropyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Systematic Name English
NSC-340337
Code English
86126-25-2 3-[(4-chlorophenyl)methyl]-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Systematic Name English
1H,7H-PYRAZOLO(1,2-A)(1,2,5)TRIAZEPINE-1,5(2H)-DIONE, TETRAHYDRO-3-((4-CHLOROPHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
86126-25-2
Created by admin on Sat Dec 16 12:56:21 GMT 2023 , Edited by admin on Sat Dec 16 12:56:21 GMT 2023
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FDA UNII
2ZF9376VCC
Created by admin on Sat Dec 16 12:56:21 GMT 2023 , Edited by admin on Sat Dec 16 12:56:21 GMT 2023
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NSC
340337
Created by admin on Sat Dec 16 12:56:21 GMT 2023 , Edited by admin on Sat Dec 16 12:56:21 GMT 2023
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EPA CompTox
DTXSID00235411
Created by admin on Sat Dec 16 12:56:21 GMT 2023 , Edited by admin on Sat Dec 16 12:56:21 GMT 2023
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PUBCHEM
72808
Created by admin on Sat Dec 16 12:56:21 GMT 2023 , Edited by admin on Sat Dec 16 12:56:21 GMT 2023
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