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

Systemtic Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-2-phenoxy-ethanone Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C23H22N4O4/c28-23(15-29-18-4-2-1-3-5-18)27-12-10-26(11-13-27)22-9-7-19(24-25-22)17-6-8-20-21(14-17)31-16-30-20/h1-9,14H,10-13,15-16H2