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Details

Stereochemistry ACHIRAL
Molecular Formula C21H20F3N3O3
Molecular Weight 419.397
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-methyl-6-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetyl)-2,3-dihydro-1,3-benzoxazol-2-one

SMILES

CN1C(=O)OC2=C1C=CC(=C2)C(=O)CN3CCN(CC3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChIKey=XERIIBQQYDXGKO-UHFFFAOYSA-N
InChI=1S/C21H20F3N3O3/c1-25-17-6-5-14(11-19(17)30-20(25)29)18(28)13-26-7-9-27(10-8-26)16-4-2-3-15(12-16)21(22,23)24/h2-6,11-12H,7-10,13H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H20F3N3O3
Molecular Weight 419.397
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 Sat Dec 16 19:14:20 GMT 2023
Edited
by admin
on Sat Dec 16 19:14:20 GMT 2023
Record UNII
A7WB2CD3R9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-methyl-6-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetyl)-2,3-dihydro-1,3-benzoxazol-2-one
Systematic Name English
2(3H)-Benzoxazolone, 3-methyl-6-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]acetyl]-
Systematic Name English
3-methyl-6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1,3-benzoxazol-2-one
Systematic Name English
2-BENZOXAZOLINONE, 3-METHYL-6-((4-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-4-PIPERAZINYL)ACETYL)-
Common Name English
NSC-367965
Code English
3-Methyl-6-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]acetyl]-2(3H)-benzoxazolone
Systematic Name English
Code System Code Type Description
CAS
82608-05-7
Created by admin on Sat Dec 16 19:14:20 GMT 2023 , Edited by admin on Sat Dec 16 19:14:20 GMT 2023
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NSC
367965
Created by admin on Sat Dec 16 19:14:20 GMT 2023 , Edited by admin on Sat Dec 16 19:14:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID40231912
Created by admin on Sat Dec 16 19:14:20 GMT 2023 , Edited by admin on Sat Dec 16 19:14:20 GMT 2023
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PUBCHEM
54893
Created by admin on Sat Dec 16 19:14:20 GMT 2023 , Edited by admin on Sat Dec 16 19:14:20 GMT 2023
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FDA UNII
A7WB2CD3R9
Created by admin on Sat Dec 16 19:14:20 GMT 2023 , Edited by admin on Sat Dec 16 19:14:20 GMT 2023
PRIMARY