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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19N3O
Molecular Weight 293.363
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-CYANOETHYL)-4-(4-METHYLBENZOYL)HEPTANEDINITRILE

SMILES

CC1=CC=C(C=C1)C(=O)C(CCC#N)(CCC#N)CCC#N

InChI

InChIKey=FEGPPHGAJSUBAE-UHFFFAOYSA-N
InChI=1S/C18H19N3O/c1-15-5-7-16(8-6-15)17(22)18(9-2-12-19,10-3-13-20)11-4-14-21/h5-8H,2-4,9-11H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H19N3O
Molecular Weight 293.363
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 Tue Apr 01 19:40:41 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:41 GMT 2025
Record UNII
6GKF8CD7ZO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-CYANOETHYL)-4-(4-METHYLBENZOYL)HEPTANEDINITRILE
Systematic Name English
NSC-404116
Preferred Name English
HEPTANEDINITRILE, 4-(2-CYANOETHYL)-4-(4-METHYLBENZOYL)-
Systematic Name English
PROPIONITRILE, .BETA.,.BETA.',.BETA.''-(P-TOLUYLMETHYLIDYNE)TRI-
Systematic Name English
HEPTANEDINITRILE, 4-(2-CYANOETHYL)-4-P-TOLUOYL-
Common Name English
Code System Code Type Description
NSC
404116
Created by admin on Tue Apr 01 19:40:41 GMT 2025 , Edited by admin on Tue Apr 01 19:40:41 GMT 2025
PRIMARY
CAS
7461-85-0
Created by admin on Tue Apr 01 19:40:41 GMT 2025 , Edited by admin on Tue Apr 01 19:40:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID20225596
Created by admin on Tue Apr 01 19:40:41 GMT 2025 , Edited by admin on Tue Apr 01 19:40:41 GMT 2025
PRIMARY
PUBCHEM
24046
Created by admin on Tue Apr 01 19:40:41 GMT 2025 , Edited by admin on Tue Apr 01 19:40:41 GMT 2025
PRIMARY
FDA UNII
6GKF8CD7ZO
Created by admin on Tue Apr 01 19:40:41 GMT 2025 , Edited by admin on Tue Apr 01 19:40:41 GMT 2025
PRIMARY