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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H16F3N3O3
Molecular Weight 391.3438
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, R

SHOW SMILES / InChI
Structure of TAVAPADON

SMILES

CN1C(=O)NC(=O)C(C)=C1C2=CC=C(OC3=NC=CC=C3C(F)(F)F)C=C2C

InChI

InChIKey=AKQXQLUNFKDZBN-UHFFFAOYSA-N
InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)

HIDE SMILES / InChI

Molecular Formula C19H16F3N3O3
Molecular Weight 391.3438
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
PT4P8MJP8L
Record Status Validated (UNII)
Record Version