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Details

Stereochemistry ACHIRAL
Molecular Formula C31H30N8O2
Molecular Weight 546.6223
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KR-31173

SMILES

CCCCC1=NC2=C(N=C(COC)C(=C2)C3=CC=CC=[N+]3[O-])N1CC4=CC=C(C=C4)C5=C(C=CC=C5)C6=NN=NN6

InChI

InChIKey=KTIHPEHEYAUWHK-UHFFFAOYSA-N
InChI=1S/C31H30N8O2/c1-3-4-12-29-32-26-18-25(28-11-7-8-17-39(28)40)27(20-41-2)33-31(26)38(29)19-21-13-15-22(16-14-21)23-9-5-6-10-24(23)30-34-36-37-35-30/h5-11,13-18H,3-4,12,19-20H2,1-2H3,(H,34,35,36,37)

HIDE SMILES / InChI

Molecular Formula C31H30N8O2
Molecular Weight 546.6223
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
3X61VVA119
Record Status Validated (UNII)
Record Version