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Details

Stereochemistry ACHIRAL
Molecular Formula C25H21F3N2O
Molecular Weight 422.4422
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MAVATREP

SMILES

CC(C)(O)C1=CC=CC=C1C2=CC=C3N=C(NC3=C2)\C=C\C4=CC=C(C=C4)C(F)(F)F

InChI

InChIKey=ORDHXXHTBUZRCN-NTEUORMPSA-N
InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+

HIDE SMILES / InChI

Molecular Formula C25H21F3N2O
Molecular Weight 422.4422
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
F197218T99
Record Status Validated (UNII)
Record Version