U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H22FN3O2
Molecular Weight 390.4406
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-2459989 F-18

SMILES

NC(=O)C1=CC=C(OC2=CC=C(CN3CCC[C@H]3C4=CC=CN=C4)C=C2)C([18F])=C1

InChI

InChIKey=DRGHCUTTXWIERB-GSTQIRBVSA-N
InChI=1S/C23H22FN3O2/c24-20-13-17(23(25)28)7-10-22(20)29-19-8-5-16(6-9-19)15-27-12-2-4-21(27)18-3-1-11-26-14-18/h1,3,5-11,13-14,21H,2,4,12,15H2,(H2,25,28)/t21-/m0/s1/i24-1

HIDE SMILES / InChI

Molecular Formula C23H22FN3O2
Molecular Weight 390.4406
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
MWN7742MT4
Record Status Validated (UNII)
Record Version