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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>22</sub>H<sub>23</sub>N<sub>3</sub>O<sub>2</sub>

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Extracted from

Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₂H₂₃N₃O₂
Molecular Weight	361.44 g/mol
Exact Mass	361.1790 Da
InChI	InChI=1S/C22H23N3O2/c1-23-12-13-25-19-10-11-24(22(26)27-15-16-6-3-2-4-7-16)14-18(19)17-8-5-9-20(23)21(17)25/h2-9H,10-15H2,1H3
InChIKey	TWCSPOXCAASUDX-UHFFFAOYSA-N
SMILES	CN1CCN2C3=C(CN(CC3)C(=O)OCC4=CC=CC=C4)C5=C2C1=CC=C5
Number of Atoms	50
Number of H-Bond Acceptors	5
Number of H-Bond Donors	0
Atoms in the Largest π-System	10
XLogP	2.6

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