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

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C9H12N2
Molecular Weight 148.21 g/mol
Exact Mass 148.1001 Da
InChI
InChI=1S/C9H12N2/c1-11-7-6-10-8-4-2-3-5-9(8)11/h2-5,10H,6-7H2,1H3
InChIKey
SXLZJUPRTINRQQ-UHFFFAOYSA-N
SMILES
CN1CCNC2=C1C=CC=C2
Number of Atoms 23
Number of H-Bond Acceptors 2
Number of H-Bond Donors 1
Atoms in the Largest π-System 8
XLogP 1.2
Zoomed SVG