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Details

Stereochemistry ACHIRAL
Molecular Formula C18H12F3N5O2
Molecular Weight 387.3154
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2,2-DIFLUOROETHYL)-4-(6-FLUORO-1,3-DIHYDRO-3-OXO-2H-PYRAZOLO(4,3-C)CINNOLIN-2-YL)BENZAMIDE

SMILES

FC(F)CNC(=O)C1=CC=C(C=C1)N2NC3=C(N=NC4=C(F)C=CC=C34)C2=O

InChI

InChIKey=MHFKFNJSUZVGGZ-UHFFFAOYSA-N
InChI=1S/C18H12F3N5O2/c19-12-3-1-2-11-14(12)23-24-16-15(11)25-26(18(16)28)10-6-4-9(5-7-10)17(27)22-8-13(20)21/h1-7,13,25H,8H2,(H,22,27)

HIDE SMILES / InChI
Molecular Formula C18H12F3N5O2
Molecular Weight 387.3154
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 12:12:39 GMT 2025
Edited
by admin
on Wed Apr 02 12:12:39 GMT 2025
Record UNII
MNK3B6VR65
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2,2-DIFLUOROETHYL)-4-(6-FLUORO-1,3-DIHYDRO-3-OXO-2H-PYRAZOLO(4,3-C)CINNOLIN-2-YL)BENZAMIDE
Systematic Name English
N-(2,2-DIFLUOROETHYL)-4-(6-FLUORO-3-OXO-1H-PYRAZOLO(4,3-C)CINNOLIN-2(3H)-YL)BENZAMIDE
Preferred Name English
BENZAMIDE, N-(2,2-DIFLUOROETHYL)-4-(6-FLUORO-1,3-DIHYDRO-3-OXO-2H-PYRAZOLO(4,3-C)CINNOLIN-2-YL)-
Systematic Name English
4-(6-FLUORO-3-OXO-1,3-DIHYDRO-PYRAZOLO(4,3-C)CINNOLIN-2-YL)-N- (2,2-DIFLUORO-ETHYL)-BENZAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
MNK3B6VR65
Created by admin on Wed Apr 02 12:12:39 GMT 2025 , Edited by admin on Wed Apr 02 12:12:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID60432702
Created by admin on Wed Apr 02 12:12:39 GMT 2025 , Edited by admin on Wed Apr 02 12:12:39 GMT 2025
PRIMARY
CAS
947254-09-3
Created by admin on Wed Apr 02 12:12:39 GMT 2025 , Edited by admin on Wed Apr 02 12:12:39 GMT 2025
ALTERNATIVE
PUBCHEM
9908251
Created by admin on Wed Apr 02 12:12:39 GMT 2025 , Edited by admin on Wed Apr 02 12:12:39 GMT 2025
PRIMARY
CAS
763142-16-1
Created by admin on Wed Apr 02 12:12:39 GMT 2025 , Edited by admin on Wed Apr 02 12:12:39 GMT 2025
PRIMARY
SMS_ID
300000021720
Created by admin on Wed Apr 02 12:12:39 GMT 2025 , Edited by admin on Wed Apr 02 12:12:39 GMT 2025
PRIMARY
Related Record Type Details
Structure of N-(2,2-DIFLUOROETHYL)-4-(6-FLUORO-3-OXO-1,3-DIHYDROPYRAZOLO(4,3-C)CINNOLIN-2-YL)-BENZAMIDE CHOLINE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of N-(2,2-DIFLUOROETHYL)-4-(6-FLUORO-1,3-DIHYDRO-3-OXO-2H-PYRAZOLO(4,3-C)CINNOLIN-2-YL)BENZAMIDE
ACTIVE MOIETY
NIH
NCATS
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