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

Systemtic Name: 3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-methoxy-phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-methoxy-phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-methoxyphenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-methoxyphenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-methoxy-phenyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C(C=C1)OC)C2=NNC(=O)CC2)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=C(C=C1)OC)C2=NNC(=O)CC2)O

InChI

InChI=1S/C18H27N3O4/c1-18(2,3)19-10-12(22)11-25-16-7-5-13(24-4)9-14(16)15-6-8-17(23)21-20-15/h5,7,9,12,19,22H,6,8,10-11H2,1-4H3,(H,21,23)