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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>17</sub>H<sub>15</sub>F<sub>3</sub>N<sub>2</sub>O

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₇H₁₅F₃N₂O
Molecular Weight	320.31 g/mol
Exact Mass	320.1136 Da
InChI	InChI=1S/C17H15F3N2O/c18-17(19,20)16(23)22-11-10-21(12-13-6-2-1-3-7-13)14-8-4-5-9-15(14)22/h1-9H,10-12H2
InChIKey	WYXXRVWBXJSGTB-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)CN2CCN(C3=C2C=CC=C3)C(=O)C(F)(F)F
Number of Atoms	38
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	10
XLogP	2.8

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