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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H21BrFNO
Molecular Weight 402.3
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[4-(4-Bromophenyl)-3,6-dihydro-1(2H)-pyridinyl]-1-(4-fluorophenyl)-1-butanone

SMILES

FC1=CC=C(C=C1)C(=O)CCCN2CCC(=CC2)C3=CC=C(Br)C=C3

InChI

InChIKey=RDGNOACOEMJXRF-UHFFFAOYSA-N
InChI=1S/C21H21BrFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2

HIDE SMILES / InChI

Molecular Formula C21H21BrFNO
Molecular Weight 402.3
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 16:00:25 GMT 2025
Edited
by admin
on Wed Apr 02 16:00:25 GMT 2025
Record UNII
KB256RJU7J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Butanone, 4-[4-(4-bromophenyl)-3,6-dihydro-1(2H)-pyridinyl]-1-(4-fluorophenyl)-
Preferred Name English
4-[4-(4-Bromophenyl)-3,6-dihydro-1(2H)-pyridinyl]-1-(4-fluorophenyl)-1-butanone
Systematic Name English
Code System Code Type Description
FDA UNII
KB256RJU7J
Created by admin on Wed Apr 02 16:00:25 GMT 2025 , Edited by admin on Wed Apr 02 16:00:25 GMT 2025
PRIMARY
CAS
270257-31-3
Created by admin on Wed Apr 02 16:00:25 GMT 2025 , Edited by admin on Wed Apr 02 16:00:25 GMT 2025
PRIMARY
PUBCHEM
11741807
Created by admin on Wed Apr 02 16:00:25 GMT 2025 , Edited by admin on Wed Apr 02 16:00:25 GMT 2025
PRIMARY