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Details

Stereochemistry ACHIRAL
Molecular Formula C22H25FN2O
Molecular Weight 352.4451
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-PROPEN-1-ONE, 3-(4-(3,4-DIMETHYLPHENYL)-1-PIPERAZINYL)-1-(4-FLUOROPHENYL)-2-METHYL-

SMILES

C\C(=C/N1CCN(CC1)C2=CC=C(C)C(C)=C2)C(=O)C3=CC=C(F)C=C3

InChI

InChIKey=VGSDFSCLAWDOAH-OBGWFSINSA-N
InChI=1S/C22H25FN2O/c1-16-4-9-21(14-17(16)2)25-12-10-24(11-13-25)15-18(3)22(26)19-5-7-20(23)8-6-19/h4-9,14-15H,10-13H2,1-3H3/b18-15+

HIDE SMILES / InChI

Molecular Formula C22H25FN2O
Molecular Weight 352.4451
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:12:55 GMT 2025
Edited
by admin
on Tue Apr 01 20:12:55 GMT 2025
Record UNII
B837W6M2AT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-131369
Preferred Name English
2-PROPEN-1-ONE, 3-(4-(3,4-DIMETHYLPHENYL)-1-PIPERAZINYL)-1-(4-FLUOROPHENYL)-2-METHYL-
Systematic Name English
3-(4-(3,4-DIMETHYLPHENYL)-1-PIPERAZINYL)-1-(4-FLUOROPHENYL)-2-METHYL-2-PROPEN-1-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
B837W6M2AT
Created by admin on Tue Apr 01 20:12:55 GMT 2025 , Edited by admin on Tue Apr 01 20:12:55 GMT 2025
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PUBCHEM
3034597
Created by admin on Tue Apr 01 20:12:55 GMT 2025 , Edited by admin on Tue Apr 01 20:12:55 GMT 2025
PRIMARY
NSC
131369
Created by admin on Tue Apr 01 20:12:55 GMT 2025 , Edited by admin on Tue Apr 01 20:12:55 GMT 2025
PRIMARY
CAS
76691-18-4
Created by admin on Tue Apr 01 20:12:55 GMT 2025 , Edited by admin on Tue Apr 01 20:12:55 GMT 2025
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