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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23FN4O2
Molecular Weight 382.4313
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SHR-116837

SMILES

CCNCCN1CCC2=C(C(C)=C(N2)\C=C3/C(=O)NC4=C3C=C(F)C=C4)C1=O

InChI

InChIKey=YTUMZRDKADJBSW-PTNGSMBKSA-N
InChI=1S/C21H23FN4O2/c1-3-23-7-9-26-8-6-17-19(21(26)28)12(2)18(24-17)11-15-14-10-13(22)4-5-16(14)25-20(15)27/h4-5,10-11,23-24H,3,6-9H2,1-2H3,(H,25,27)/b15-11-

HIDE SMILES / InChI

Molecular Formula C21H23FN4O2
Molecular Weight 382.4313
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
ULH0LX6JDG
Record Status Validated (UNII)
Record Version