1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-propoxyphenoxy)ethanone

Systemtic Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-propoxyphenoxy)ethanone Openeye Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-propoxyphenoxy)ethanone CAS Name: 1-[4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-2-(4-propoxyphenoxy)ethanone IUPAC Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-propoxyphenoxy)ethanone Traditional Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-2-(4-propoxyphenoxy)ethanone Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O5/c1-2-15-32-20-4-6-21(7-5-20)33-17-26(31)30-13-11-29(12-14-30)25-10-8-22(27-28-25)19-3-9-23-24(16-19)35-18-34-23/h3-10,16H,2,11-15,17-18H2,1H3