2-(1,3-benzodioxol-5-yloxy)-1-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-[6-(p-tolyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one CAS Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-[6-(4-methylphenyl)-3-pyridazinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-[6-(p-tolyl)pyridazin-3-yl]piperazino]propan-1-one Formula: C25H26N4O4 MolecularWeight: 446.49834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C(C)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C(C)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N4O4/c1-17-3-5-19(6-4-17)21-8-10-24(27-26-21)28-11-13-29(14-12-28)25(30)18(2)33-20-7-9-22-23(15-20)32-16-31-22/h3-10,15,18H,11-14,16H2,1-2H3