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 | C17H21N3O2 |
| Molecular Weight | 299.37 g/mol |
| Exact Mass | 299.1634 Da |
| InChI |
InChI=1S/C17H21N3O2/c1-3-22-17(21)19-8-7-14-13(11-19)12-5-4-6-15-16(12)20(14)10-9-18(15)2/h4-6H,3,7-11H2,1-2H3
|
| InChIKey |
KADLFSUNILOJDL-UHFFFAOYSA-N
|
| SMILES |
CCOC(=O)N1CCC2=C(C1)C3=C4C(=CC=C3)N(C)CCN24
|
| Number of Atoms | 43 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 10 |
| XLogP | 1.9 |
