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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H23F3N2O
Molecular Weight 388.426
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-(DIETHYLAMINO)ETHOXY)-.ALPHA.-((4-(TRIFLUOROMETHYL)PHENYL)METHYLENE)BENZENEACETONITRILE

SMILES

CCN(CC)CCOC1=CC=C(C=C1)C(=C/C2=CC=C(C=C2)C(F)(F)F)\C#N

InChI

InChIKey=FBADFTXARFJIBJ-CYVLTUHYSA-N
InChI=1S/C22H23F3N2O/c1-3-27(4-2)13-14-28-21-11-7-18(8-12-21)19(16-26)15-17-5-9-20(10-6-17)22(23,24)25/h5-12,15H,3-4,13-14H2,1-2H3/b19-15-

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-(2-(DIETHYLAMINO)ETHOXY)-.ALPHA.-((4-(TRIFLUOROMETHYL)PHENYL)METHYLENE)BENZENEACETONITRILE
Systematic Name English
NSC-59474
Preferred Name English
(E)-2-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-3-(4-(TRIFLUOROMETHYL)PHENYL)PROP-2-ENENITRILE
Systematic Name English
BENZENEACETONITRILE, 4-(2-(DIETHYLAMINO)ETHOXY)-.ALPHA.-((4-(TRIFLUOROMETHYL)PHENYL)METHYLENE)-
Systematic Name English
Code System Code Type Description
FDA UNII
SF2HQ46X8V
Created by admin on Tue Apr 01 20:14:07 GMT 2025 , Edited by admin on Tue Apr 01 20:14:07 GMT 2025
PRIMARY
NSC
59474
Created by admin on Tue Apr 01 20:14:07 GMT 2025 , Edited by admin on Tue Apr 01 20:14:07 GMT 2025
PRIMARY
CAS
1174-06-7
Created by admin on Tue Apr 01 20:14:07 GMT 2025 , Edited by admin on Tue Apr 01 20:14:07 GMT 2025
PRIMARY
PUBCHEM
6450834
Created by admin on Tue Apr 01 20:14:07 GMT 2025 , Edited by admin on Tue Apr 01 20:14:07 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
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