5-bromanyl-4-[2-[[2-oxidanyl-3-(4-pentoxyphenoxy)propyl]amino]ethylamino]-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[2-[[2-oxidanyl-3-(4-pentoxyphenoxy)propyl]amino]ethylamino]-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[2-[[2-hydroxy-3-(4-pentoxyphenoxy)propyl]amino]ethylamino]-1H-pyridazin-6-one CAS Name: 5-bromo-4-[2-[[2-hydroxy-3-(4-pentoxyphenoxy)propyl]amino]ethylamino]-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[2-[[2-hydroxy-3-(4-pentoxyphenoxy)propyl]amino]ethylamino]-1H-pyridazin-6-one Traditional Name: 4-[2-[[3-(4-amoxyphenoxy)-2-hydroxy-propyl]amino]ethylamino]-5-bromo-1H-pyridazin-6-one Formula: C20H29BrN4O4 MolecularWeight: 469.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)OCC(CNCCNC2=C(C(=O)NN=C2)Br)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)OCC(CNCCNC2=C(C(=O)NN=C2)Br)O

InChI

InChI=1S/C20H29BrN4O4/c1-2-3-4-11-28-16-5-7-17(8-6-16)29-14-15(26)12-22-9-10-23-18-13-24-25-20(27)19(18)21/h5-8,13,15,22,26H,2-4,9-12,14H2,1H3,(H2,23,25,27)