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

Details

Stereochemistry RACEMIC
Molecular Formula C22H20FN3O2
Molecular Weight 377.4115
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUFURADOM

SMILES

CN1C(CNC(=O)C2=COC=C2)CN=C(C3=CC=CC=C3)C4=CC=C(F)C=C14

InChI

InChIKey=QJSCDZOUCFWCKD-UHFFFAOYSA-N
InChI=1S/C22H20FN3O2/c1-26-18(13-25-22(27)16-9-10-28-14-16)12-24-21(15-5-3-2-4-6-15)19-8-7-17(23)11-20(19)26/h2-11,14,18H,12-13H2,1H3,(H,25,27)

HIDE SMILES / InChI

Molecular Formula C22H20FN3O2
Molecular Weight 377.4115
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
GS8D070P7W
Record Status Validated (UNII)
Record Version