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

Systemtic Name: 3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-methyl-phenyl]-1H-pyridazin-6-one Openeye Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-methyl-phenyl]-1H-pyridazin-6-one CAS Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-methylphenyl]-1H-pyridazin-6-one IUPAC Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-methylphenyl]-1H-pyridazin-6-one Traditional Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-methyl-phenyl]-1H-pyridazin-6-one Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NNC(=O)C=C2)OCC(CNC(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NNC(=O)C=C2)OCC(CNC(C)(C)C)O

InChI

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