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

Systemtic Name: 3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1H-pyridazin-6-one Openeye Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1H-pyridazin-6-one CAS Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one Traditional Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1H-pyridazin-6-one Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1C2=NNC(=O)C=C2)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C2=NNC(=O)C=C2)O

InChI

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