5-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1H-pyridazin-6-one hydrochloride

Systemtic Name: 5-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1H-pyridazin-6-one hydrochloride Openeye Name: 5-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1H-pyridazin-6-one hydrochloride CAS Name: 5-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one hydrochloride IUPAC Name: 5-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one hydrochloride Traditional Name: 5-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1H-pyridazin-6-one hydrochloride Formula: C17H24ClN3O3 MolecularWeight: 353.84376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1C2=CC=NNC2=O)O.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C2=CC=NNC2=O)O.Cl

InChI

InChI=1S/C17H23N3O3.ClH/c1-17(2,3)18-10-12(21)11-23-15-7-5-4-6-13(15)14-8-9-19-20-16(14)22;/h4-9,12,18,21H,10-11H2,1-3H3,(H,20,22);1H