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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H16F3N3O2
Molecular Weight 399.3658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NP-G2-044

SMILES

CC1=C(C=CO1)C(=O)NC2=NN(CC3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C24

InChI

InChIKey=XLLRLAABUFOJPC-UHFFFAOYSA-N
InChI=1S/C21H16F3N3O2/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)

HIDE SMILES / InChI

Molecular Formula C21H16F3N3O2
Molecular Weight 399.3658
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
1ER2O3UZ4W
Record Status Validated (UNII)
Record Version