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

Systemtic Name: 3-[3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-methyl-phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[3-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-methyl-phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[3-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-methyl-phenyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)CC2)OCC(CNC(C)(C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)CC2)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C18H27N3O3/c1-12-5-6-13(15-7-8-17(23)21-20-15)9-16(12)24-11-14(22)10-19-18(2,3)4/h5-6,9,14,19,22H,7-8,10-11H2,1-4H3,(H,21,23)