2-phenyl-6-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbonyl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-phenyl-6-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbonyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 2-phenyl-6-[4-[5-(2-thienyl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]pyridazin-3-one CAS Name: 6-[4-[oxo-(5-thiophen-2-yl-1H-pyrazol-3-yl)methyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 2-phenyl-6-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-phenyl-6-[4-[5-(2-thienyl)-1H-pyrazole-3-carbonyl]piperazino]pyridazin-3-one Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN(C(=O)C=C2)C3=CC=CC=C3)C(=O)C4=NNC(=C4)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=NN(C(=O)C=C2)C3=CC=CC=C3)C(=O)C4=NNC(=C4)C5=CC=CS5

InChI

InChI=1S/C22H20N6O2S/c29-21-9-8-20(25-28(21)16-5-2-1-3-6-16)26-10-12-27(13-11-26)22(30)18-15-17(23-24-18)19-7-4-14-31-19/h1-9,14-15H,10-13H2,(H,23,24)