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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H12N4O2
Molecular Weight 316.3135
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4'-(2,5-dioxopiperazine-1,4-diyl)dibenzonitrile

SMILES

O=C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N

InChI

InChIKey=SRMGTRQYZAYILR-UHFFFAOYSA-N
InChI=1S/C18H12N4O2/c19-9-13-1-5-15(6-2-13)21-11-18(24)22(12-17(21)23)16-7-3-14(10-20)4-8-16/h1-8H,11-12H2

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4,4'-(2,5-dioxopiperazine-1,4-diyl)dibenzonitrile
Systematic Name English
4-(4-(4-Isocyanophenyl)-2,5-dioxopiperazin-1-yl)benzonitrile
Systematic Name English
Code System Code Type Description
CAS
2733025-09-5
Created by admin on Sat Dec 16 19:55:57 GMT 2023 , Edited by admin on Sat Dec 16 19:55:57 GMT 2023
PRIMARY
FDA UNII
25ZV6628G3
Created by admin on Sat Dec 16 19:55:57 GMT 2023 , Edited by admin on Sat Dec 16 19:55:57 GMT 2023
PRIMARY
PUBCHEM
124222861
Created by admin on Sat Dec 16 19:55:57 GMT 2023 , Edited by admin on Sat Dec 16 19:55:57 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966