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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19F3N2O2
Molecular Weight 340.3402
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[[(3S)-4,4-Dimethyl-2-oxo-1-propyl-3-pyrrolidinyl]oxy]-2-(trifluoromethyl)benzonitrile

SMILES

CCCN1CC(C)(C)[C@H](OC2=CC=C(C#N)C(=C2)C(F)(F)F)C1=O

InChI

InChIKey=OOGQJBOBYZUGFN-CQSZACIVSA-N
InChI=1S/C17H19F3N2O2/c1-4-7-22-10-16(2,3)14(15(22)23)24-12-6-5-11(9-21)13(8-12)17(18,19)20/h5-6,8,14H,4,7,10H2,1-3H3/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H19F3N2O2
Molecular Weight 340.3402
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:21:25 GMT 2025
Edited
by admin
on Wed Apr 02 19:21:25 GMT 2025
Record UNII
DBR98NQ4XA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[[(3S)-4,4-Dimethyl-2-oxo-1-propyl-3-pyrrolidinyl]oxy]-2-(trifluoromethyl)benzonitrile
Systematic Name English
(3S)-(-)-4-[(1-Propyl-4,4-dimethyl-2-oxopyrrolidin-3-yl)oxy]-2-trifluoromethylbenzonitrile
Preferred Name English
Benzonitrile, 4-[[(3S)-4,4-dimethyl-2-oxo-1-propyl-3-pyrrolidinyl]oxy]-2-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
CAS
914100-99-5
Created by admin on Wed Apr 02 19:21:25 GMT 2025 , Edited by admin on Wed Apr 02 19:21:25 GMT 2025
PRIMARY
PUBCHEM
12002226
Created by admin on Wed Apr 02 19:21:25 GMT 2025 , Edited by admin on Wed Apr 02 19:21:25 GMT 2025
PRIMARY
FDA UNII
DBR98NQ4XA
Created by admin on Wed Apr 02 19:21:25 GMT 2025 , Edited by admin on Wed Apr 02 19:21:25 GMT 2025
PRIMARY