Cn1cc(-c2ccnc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(N)c1=O
Nombre: 123d
IUPAC: 2-[4-(5-amino-1-methyl-6-oxo-3-pyridinyl)-3-(hydroxymethyl)-2-pyridinyl]-6-tert-butyl-8-fluorophthalazin-1-one
SMILES: Cn1cc(-c2ccnc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(N)c1=O
Canonical SMILES: CC(C)(C)C1=CC2=C(C(=C1)F)C(=O)N(N=C2)C3=NC=CC(=C3CO)C4=CN(C(=O)C(=C4)N)C
Fórmula molecular: C24H24FN5O3
Masa molecular: 449.50
InChIKey: LQFPLWMMEJRCNC-UHFFFAOYSA-N
InChI: InChI=1S/C24H24FN5O3/c1-24(2,3)15-7-13-10-28-30(23(33)20(13)18(25)9-15)21-17(12-31)16(5-6-27-21)14-8-19(26)22(32)29(4)11-14/h5-11,31H,12,26H2,1-4H3
PubChem CID: 117777376

Sinónimos

SCHEMBL16342367SCHEMBL30289818LQFPLWMMEJRCNC-UHFFFAOYSA-N2-(4-(5-amino-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-3-(hydroxymethyl)-pyridin-2-yl)-6-tert-butyl-8-fluorophthalazin-1(2H)-one