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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H24N2O3
Molecular Weight 316.3948
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(2,6-DIETHYL-4-METHYLPHENYL)TETRAHYDROPYRAZOLO(1,2-D)(1,4,5)OXADIAZEPINE-7,9-DIONE

SMILES

CCC1=CC(C)=CC(CC)=C1C2C(=O)N3CCOCCN3C2=O

InChI

InChIKey=QHUWVQWAKAJLTJ-UHFFFAOYSA-N
InChI=1S/C18H24N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h10-11,16H,4-9H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
8-(2,6-DIETHYL-4-METHYLPHENYL)TETRAHYDROPYRAZOLO(1,2-D)(1,4,5)OXADIAZEPINE-7,9-DIONE
Systematic Name English
7H-PYRAZOLO(1,2-D)(1,4,5)OXADIAZEPINE-7,9(8H)-DIONE, 8-(2,6-DIETHYL-4-METHYLPHENYL)TETRAHYDRO-
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 647501
Created by admin on Sat Dec 16 18:22:55 GMT 2023 , Edited by admin on Sat Dec 16 18:22:55 GMT 2023
Code System Code Type Description
FDA UNII
M63Y91U388
Created by admin on Sat Dec 16 18:22:55 GMT 2023 , Edited by admin on Sat Dec 16 18:22:55 GMT 2023
PRIMARY
PUBCHEM
11186156
Created by admin on Sat Dec 16 18:22:55 GMT 2023 , Edited by admin on Sat Dec 16 18:22:55 GMT 2023
PRIMARY
CAS
314020-44-5
Created by admin on Sat Dec 16 18:22:55 GMT 2023 , Edited by admin on Sat Dec 16 18:22:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID80895138
Created by admin on Sat Dec 16 18:22:55 GMT 2023 , Edited by admin on Sat Dec 16 18:22:55 GMT 2023
PRIMARY