1,3-benzodioxol-5-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[6-(3-pyridylamino)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[6-(3-pyridinylamino)-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[6-(3-pyridylamino)pyridazin-3-yl]piperazino]methanone Formula: C21H20N6O3 MolecularWeight: 404.4219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)NC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)NC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N6O3/c28-21(15-3-4-17-18(12-15)30-14-29-17)27-10-8-26(9-11-27)20-6-5-19(24-25-20)23-16-2-1-7-22-13-16/h1-7,12-13H,8-11,14H2,(H,23,24)