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

Systemtic Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone Openeye Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone CAS Name: 1-[4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-2-(4-tert-butylphenoxy)ethanone IUPAC Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone Traditional Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-2-(4-tert-butylphenoxy)ethanone Formula: C27H30N4O4 MolecularWeight: 474.5515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O4/c1-27(2,3)20-5-7-21(8-6-20)33-17-26(32)31-14-12-30(13-15-31)25-11-9-22(28-29-25)19-4-10-23-24(16-19)35-18-34-23/h4-11,16H,12-15,17-18H2,1-3H3