3-[4-[[2-[[3-(5-fluoranyl-2-methyl-phenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[4-[[2-[[3-(5-fluoranyl-2-methyl-phenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[[2-[[3-(5-fluoro-2-methyl-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[4-[[2-[[3-(5-fluoro-2-methylphenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[[2-[[3-(5-fluoro-2-methylphenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[[2-[[3-(5-fluoro-2-methyl-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C24H31FN4O3 MolecularWeight: 442.526343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)OCC(CNC(C)(C)CNC2=CC=C(C=C2)C3=NNC(=O)CC3)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)OCC(CNC(C)(C)CNC2=CC=C(C=C2)C3=NNC(=O)CC3)O

InChI

InChI=1S/C24H31FN4O3/c1-16-4-7-18(25)12-22(16)32-14-20(30)13-27-24(2,3)15-26-19-8-5-17(6-9-19)21-10-11-23(31)29-28-21/h4-9,12,20,26-27,30H,10-11,13-15H2,1-3H3,(H,29,31)