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

Systemtic Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(4-iodophenyl)methanone Openeye Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(4-iodophenyl)methanone CAS Name: [4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-(4-iodophenyl)methanone IUPAC Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(4-iodophenyl)methanone Traditional Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-(4-iodophenyl)methanone Formula: C22H19IN4O3 MolecularWeight: 514.31573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19IN4O3/c23-17-4-1-15(2-5-17)22(28)27-11-9-26(10-12-27)21-8-6-18(24-25-21)16-3-7-19-20(13-16)30-14-29-19/h1-8,13H,9-12,14H2