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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H20ClFN2O2
Molecular Weight 398.858
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ONO-2952

SMILES

COC1=CC(Cl)=CC=C1[C@@H]2N(CC3(CC3)C4=C2NC5=C4C(F)=CC=C5)C(C)=O

InChI

InChIKey=ZBQMTQGDBFZUBG-NRFANRHFSA-N
InChI=1S/C22H20ClFN2O2/c1-12(27)26-11-22(8-9-22)19-18-15(24)4-3-5-16(18)25-20(19)21(26)14-7-6-13(23)10-17(14)28-2/h3-7,10,21,25H,8-9,11H2,1-2H3/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H20ClFN2O2
Molecular Weight 398.858
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
ZH8CPX4YNB
Record Status Validated (UNII)
Record Version