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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18FN3
Molecular Weight 283.3433
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XTRA

SMILES

CN1[C@H]2CC[C@@H]1[C@H](C2)C3=CN=CC(=C3)C4=CC=CN=C4F

InChI

InChIKey=ASRVLPPSPFUIAG-NUEKZKHPSA-N
InChI=1S/C17H18FN3/c1-21-13-4-5-16(21)15(8-13)12-7-11(9-19-10-12)14-3-2-6-20-17(14)18/h2-3,6-7,9-10,13,15-16H,4-5,8H2,1H3/t13-,15+,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H18FN3
Molecular Weight 283.3433
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
4DU7SLR35U
Record Status Validated (UNII)
Record Version