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

Systemtic Name: 4-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-methyl-phenyl]-1H-pyridazin-6-one Openeye Name: 4-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-methyl-phenyl]-1H-pyridazin-6-one CAS Name: 4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-methylphenyl]-1H-pyridazin-6-one IUPAC Name: 4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-methylphenyl]-1H-pyridazin-6-one Traditional Name: 4-[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=CC(=O)NN=C2)OCC(CNC(C)(C)C)O

Isomeric SMILES

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

InChI

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