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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18F3N3O3
Molecular Weight 417.3811
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INAXAPLIN

SMILES

O[C@@H]1CNC(=O)[C@H]1NC(=O)CCC2=C(NC3=C(F)C=C(F)C=C23)C4=CC=C(F)C=C4

InChI

InChIKey=CTXLPYZCBOVVQK-UZLBHIALSA-N
InChI=1S/C21H18F3N3O3/c22-11-3-1-10(2-4-11)18-13(14-7-12(23)8-15(24)19(14)27-18)5-6-17(29)26-20-16(28)9-25-21(20)30/h1-4,7-8,16,20,27-28H,5-6,9H2,(H,25,30)(H,26,29)/t16-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H18F3N3O3
Molecular Weight 417.3811
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
S2SJ2RVZ6Y
Record Status Validated (UNII)
Record Version