U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C19H20N2O4
Molecular Weight 340.3731
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 25CN-NBMD

SMILES

COC1=CC(C#N)=C(OC)C=C1CCNCC2=CC=CC3=C2OCO3

InChI

InChIKey=CFFGJOIVRPVLGJ-UHFFFAOYSA-N
InChI=1S/C19H20N2O4/c1-22-17-9-15(10-20)18(23-2)8-13(17)6-7-21-11-14-4-3-5-16-19(14)25-12-24-16/h3-5,8-9,21H,6-7,11-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C19H20N2O4
Molecular Weight 340.3731
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 Wed Apr 02 17:53:24 GMT 2025
Edited
by admin
on Wed Apr 02 17:53:24 GMT 2025
Record UNII
BUG4R5325V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[2-[(1,3-Benzodioxol-4-ylmethyl)amino]ethyl]-2,5-dimethoxybenzonitrile
Preferred Name English
25CN-NBMD
Common Name English
Benzonitrile, 4-[2-[(1,3-benzodioxol-4-ylmethyl)amino]ethyl]-2,5-dimethoxy-
Systematic Name English
Code System Code Type Description
FDA UNII
BUG4R5325V
Created by admin on Wed Apr 02 17:53:24 GMT 2025 , Edited by admin on Wed Apr 02 17:53:24 GMT 2025
PRIMARY
CAS
1391491-24-9
Created by admin on Wed Apr 02 17:53:24 GMT 2025 , Edited by admin on Wed Apr 02 17:53:24 GMT 2025
PRIMARY
PUBCHEM
168280082
Created by admin on Wed Apr 02 17:53:24 GMT 2025 , Edited by admin on Wed Apr 02 17:53:24 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Ki
TARGET->WEAK AGONIST
Ki
Related Record Type Details
ACTIVE MOIETY