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

Systemtic Name: 3-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-oxidanyl-phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-hydroxy-phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-hydroxy-phenyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-17(2,3)18-9-12(21)10-24-15-6-4-11(8-14(15)22)13-5-7-16(23)20-19-13/h4,6,8,12,18,21-22H,5,7,9-10H2,1-3H3,(H,20,23)