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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H19N3O2
Molecular Weight 369.4159
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PH-PYBOX, (R,R)-

SMILES

C1OC(=N[C@@H]1C2=CC=CC=C2)C3=CC=CC(=N3)C4=N[C@@H](CO4)C5=CC=CC=C5

InChI

InChIKey=HLHBIMJNCKZZQO-SFTDATJTSA-N
InChI=1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H19N3O2
Molecular Weight 369.4159
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

Approval Year

Substance Class Chemical
Record UNII
555PN397NX
Record Status Validated (UNII)
Record Version