2-[3-(2-fluorophenyl)-6-oxopyridazin-1(6h)-yl]-n-(pyridin-4-yl)acetamide

Iupac Name：[7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone

Molecular Weight：455.504

1. Names and Identifiers

1.1 Name: 2-[3-(2-fluorophenyl)-6-oxopyridazin-1(6h)-yl]-n-(pyridin-4-yl)acetamide
1.2 Synonyms: 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-n-(pyridin-4-yl)acetamide AKOS005666707 BG00652365 MCULE-8047414046 MOLPORT-008-339-586 STK937447 STOCK7S-09775 ZINC44902832

1.6 Inchi: InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)

1.8 Canonical Smiles: CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N

1.9 Isomers Smiles: CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N

2. Computational chemical data

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