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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19N3O2
Molecular Weight 297.3517
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELSUBRUTINIB

SMILES

NC(=O)C1=C2NC=CC2=C(C=C1)[C@@H]3CCCN(C3)C(=O)C=C

InChI

InChIKey=UNHZLHSLZZWMNP-LLVKDONJSA-N
InChI=1S/C17H19N3O2/c1-2-15(21)20-9-3-4-11(10-20)12-5-6-14(17(18)22)16-13(12)7-8-19-16/h2,5-8,11,19H,1,3-4,9-10H2,(H2,18,22)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H19N3O2
Molecular Weight 297.3517
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
1487U1Q3IQ
Record Status Validated (UNII)
Record Version