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New synthesis of a late-stage tetracyclic key intermediate of lumateperone

Mátyás Milen, Bálint Nyulasi, Tamás Nagy, Gyula Simig and Balázs Volk

Beilstein J. Org. Chem. 2022, 18, 653–659. https://doi.org/10.3762/bjoc.18.66

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Chemical structure C<sub>10</sub>H<sub>8</sub>F<sub>3</sub>N<sub>3</sub>O<sub>2</sub>

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₈F₃N₃O₂
Molecular Weight	259.19 g/mol
Exact Mass	259.0569 Da
InChI	InChI=1S/C10H8F3N3O2/c11-10(12,13)9(17)15-5-6-16(14-18)8-4-2-1-3-7(8)15/h1-4H,5-6H2
InChIKey	XCXADHNJTDIBHP-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)N(CCN2C(=O)C(F)(F)F)N=O
Number of Atoms	26
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	12
XLogP	0.8

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