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Details

Stereochemistry ACHIRAL
Molecular Formula C22H21N3O3
Molecular Weight 375.4204
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DEBIO-1452

SMILES

CN(CC1=C(C)C2=C(O1)C=CC=C2)C(=O)\C=C\C3=CC4=C(NC(=O)CC4)N=C3

InChI

InChIKey=QXTWSUQCXCWEHF-JXMROGBWSA-N
InChI=1S/C22H21N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26)/b10-7+

HIDE SMILES / InChI

Molecular Formula C22H21N3O3
Molecular Weight 375.4204
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
T3O718IKKM
Record Status Validated (UNII)
Record Version