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Details

Stereochemistry ACHIRAL
Molecular Formula C28H22F3N7O
Molecular Weight 529.5158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methyl-N-[3-(5-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide

SMILES

CC1=CN=CN1C2=CC(=CC(NC(=O)C3=CC(NC4=NC=CC(=N4)C5=CN=CC=C5)=C(C)C=C3)=C2)C(F)(F)F

InChI

InChIKey=LVVDYLLEWIHKDY-UHFFFAOYSA-N
InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-34-9-7-24(36-27)20-4-3-8-32-15-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-16-33-14-18(38)2/h3-16H,1-2H3,(H,35,39)(H,34,36,37)

HIDE SMILES / InChI

Molecular Formula C28H22F3N7O
Molecular Weight 529.5158
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 Thu Jul 06 16:36:13 UTC 2023
Edited
by admin
on Thu Jul 06 16:36:13 UTC 2023
Record UNII
N96A6U3MBC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Methyl-N-[3-(5-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide
Systematic Name English
Benzamide, 4-methyl-N-[3-(5-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-
Systematic Name English
4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(5-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
Systematic Name English
Nilotinib hydrochloride monohydrate impurity H [EP Impurity]
Common Name English
Code System Code Type Description
CAS
641571-15-5
Created by admin on Thu Jul 06 16:36:13 UTC 2023 , Edited by admin on Thu Jul 06 16:36:13 UTC 2023
PRIMARY
PUBCHEM
11180078
Created by admin on Thu Jul 06 16:36:13 UTC 2023 , Edited by admin on Thu Jul 06 16:36:13 UTC 2023
PRIMARY
FDA UNII
N96A6U3MBC
Created by admin on Thu Jul 06 16:36:13 UTC 2023 , Edited by admin on Thu Jul 06 16:36:13 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
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