1,3-benzodioxol-5-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[6-(2-thienyl)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[6-(2-thienyl)pyridazin-3-yl]piperazino]methanone Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H18N4O3S/c25-20(14-3-5-16-17(12-14)27-13-26-16)24-9-7-23(8-10-24)19-6-4-15(21-22-19)18-2-1-11-28-18/h1-6,11-12H,7-10,13H2