4-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-5-methyl-1H-pyridazin-6-one hydrochloride

Systemtic Name: 4-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-5-methyl-1H-pyridazin-6-one hydrochloride Openeye Name: 4-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-5-methyl-1H-pyridazin-6-one hydrochloride CAS Name: 4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-5-methyl-1H-pyridazin-6-one hydrochloride IUPAC Name: 4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-5-methyl-1H-pyridazin-6-one hydrochloride Traditional Name: 4-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-5-methyl-1H-pyridazin-6-one hydrochloride Formula: C18H26ClN3O3 MolecularWeight: 367.87034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NNC1=O)C2=CC=CC=C2OCC(CNC(C)(C)C)O.Cl

Isomeric SMILES

CC1=C(C=NNC1=O)C2=CC=CC=C2OCC(CNC(C)(C)C)O.Cl

InChI

InChI=1S/C18H25N3O3.ClH/c1-12-15(10-20-21-17(12)23)14-7-5-6-8-16(14)24-11-13(22)9-19-18(2,3)4;/h5-8,10,13,19,22H,9,11H2,1-4H3,(H,21,23);1H