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Details

Stereochemistry ACHIRAL
Molecular Formula C17H17N3O
Molecular Weight 279.3364
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=CJSOIFOTLJQHEY-UHFFFAOYSA-N
InChI=1S/C17H17N3O/c18-12-4-9-17(10-5-13-19,11-6-14-20)16(21)15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-11H2

HIDE SMILES / InChI

Molecular Formula C17H17N3O
Molecular Weight 279.3364
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 12:42:18 GMT 2023
Edited
by admin
on Sat Dec 16 12:42:18 GMT 2023
Record UNII
BN8DCS3ZXM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-BENZOYL-4-(2-CYANOETHYL)HEPTANEDINITRILE
Systematic Name English
TRIS(CYANOETHYL)ACETOPHENONE
Common Name English
NSC-3685
Code English
HEPTANEDINITRILE, 4-BENZOYL-4-(2-CYANOETHYL)- (6CI,9CI)
Systematic Name English
PROPIONITRILE, 3,3',3''-PHENACYLIDYNETRI-
Systematic Name English
NSC-405546
Code English
Code System Code Type Description
EPA CompTox
DTXSID10201586
Created by admin on Sat Dec 16 12:42:18 GMT 2023 , Edited by admin on Sat Dec 16 12:42:18 GMT 2023
PRIMARY
NSC
405546
Created by admin on Sat Dec 16 12:42:18 GMT 2023 , Edited by admin on Sat Dec 16 12:42:18 GMT 2023
PRIMARY
FDA UNII
BN8DCS3ZXM
Created by admin on Sat Dec 16 12:42:18 GMT 2023 , Edited by admin on Sat Dec 16 12:42:18 GMT 2023
PRIMARY
PUBCHEM
94805
Created by admin on Sat Dec 16 12:42:18 GMT 2023 , Edited by admin on Sat Dec 16 12:42:18 GMT 2023
PRIMARY
NSC
3685
Created by admin on Sat Dec 16 12:42:18 GMT 2023 , Edited by admin on Sat Dec 16 12:42:18 GMT 2023
PRIMARY
CAS
5342-96-1
Created by admin on Sat Dec 16 12:42:18 GMT 2023 , Edited by admin on Sat Dec 16 12:42:18 GMT 2023
PRIMARY