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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H10N4
Molecular Weight 258.2774
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1-BENZYL-2-PYRROLYL)-ETHENETRICARBONITRILE

SMILES

N#CC(C#N)=C(C#N)C1=CC=CN1CC2=CC=CC=C2

InChI

InChIKey=SWHDMUGSDSLCTP-UHFFFAOYSA-N
InChI=1S/C16H10N4/c17-9-14(10-18)15(11-19)16-7-4-8-20(16)12-13-5-2-1-3-6-13/h1-8H,12H2

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-191894
Preferred Name English
(1-BENZYL-2-PYRROLYL)-ETHENETRICARBONITRILE
Systematic Name English
1,1,2-ETHENETRICARBONITRILE, 2-(1-(PHENYLMETHYL)-1H-PYRROL-2-YL)-
Systematic Name English
ETHENETRICARBONITRILE, (1-(PHENYLMETHYL)-1H-PYRROL-2-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
L28IQ5N5WW
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
PRIMARY
CAS
73927-55-6
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
PRIMARY
NSC
191894
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID20224544
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
PRIMARY
PUBCHEM
52734
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
PRIMARY