3-Chloro-5-[[1-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl]methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H16ClF3N8O4
Molecular Weight	536.851
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Chloro-5-[[1-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl]methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile

Structure Search

SMILES

CN1C(=O)NN=C1CN2N=C(CN3C=CC(=C(OC4=CC(=CC(Cl)=C4)C#N)C3=O)C(F)(F)F)N(C)C2=O

InChI

InChIKey=QSMTZVOUXKWHQQ-UHFFFAOYSA-N

InChI=1S/C21H16ClF3N8O4/c1-30-15(27-28-19(30)35)10-33-20(36)31(2)16(29-33)9-32-4-3-14(21(23,24)25)17(18(32)34)37-13-6-11(8-26)5-12(22)7-13/h3-7H,9-10H2,1-2H3,(H,28,35)

HIDE SMILES / InChI

Molecular Formula	C21H16ClF3N8O4
Molecular Weight	536.851
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 17:47:38 GMT 2025` Edited by `admin` on `Wed Apr 02 17:47:38 GMT 2025`
Record UNII	YDS92H738D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Chloro-5-[[1-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl]methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile

Systematic Name

English

DORAVIRINE IMPURITY C

Preferred Name

English

Code System Code Type Description

CAS

2054541-33-0

Created by admin on Wed Apr 02 17:47:38 GMT 2025 , Edited by admin on Wed Apr 02 17:47:38 GMT 2025

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FDA UNII

YDS92H738D

Created by admin on Wed Apr 02 17:47:38 GMT 2025 , Edited by admin on Wed Apr 02 17:47:38 GMT 2025

PRIMARY

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