Stereochemistry | ABSOLUTE |
Molecular Formula | C21H23F3N6O |
Molecular Weight | 431.4429 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[11CH3]OC1=CC=C(C=C1CN[C@H]2CCCN[C@H]2C3=CC=CC=C3)N4N=NN=C4C(F)(F)F
InChI
InChIKey=XILNRORTJVDYRH-GQNWDAJUSA-N
InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1/i1-1
Molecular Formula | C21H23F3N6O |
Molecular Weight | 431.4429 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |