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Details

Stereochemistry MIXED
Molecular Formula C16H12N4O
Molecular Weight 276.2927
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4,5,6,9,10-Hexahydro-1,4-epoxybenzocyclooctene-4a,7,8,10a-tetracarbonitrile

SMILES

N#CC1=C(CCC2(C#N)C3OC(C=C3)C2(CC1)C#N)C#N

InChI

InChIKey=LRINLJPBDITLDH-QXMHVHEDSA-N
InChI=1S/C16H12N4O/c17-7-11-3-5-15(9-19)13-1-2-14(21-13)16(15,10-20)6-4-12(11)8-18/h1-2,13-14H,3-6H2/b12-11-

HIDE SMILES / InChI

Molecular Formula C16H12N4O
Molecular Weight 276.2927
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:40:26 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:26 GMT 2025
Record UNII
XY2MB5SL3F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-298893
Preferred Name English
1,4,5,6,9,10-Hexahydro-1,4-epoxybenzocyclooctene-4a,7,8,10a-tetracarbonitrile
Systematic Name English
1,4-Epoxybenzocyclooctene-4a,7,8,10a-tetracarbonitrile, 1,4,5,6,9,10-hexahydro-
Systematic Name English
Code System Code Type Description
PUBCHEM
3003920
Created by admin on Tue Apr 01 19:40:26 GMT 2025 , Edited by admin on Tue Apr 01 19:40:26 GMT 2025
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NSC
298893
Created by admin on Tue Apr 01 19:40:26 GMT 2025 , Edited by admin on Tue Apr 01 19:40:26 GMT 2025
PRIMARY
FDA UNII
XY2MB5SL3F
Created by admin on Tue Apr 01 19:40:26 GMT 2025 , Edited by admin on Tue Apr 01 19:40:26 GMT 2025
PRIMARY
CAS
62249-51-8
Created by admin on Tue Apr 01 19:40:26 GMT 2025 , Edited by admin on Tue Apr 01 19:40:26 GMT 2025
PRIMARY