4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-5-chloranyl-1H-pyridazin-6-one

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-5-chloranyl-1H-pyridazin-6-one Openeye Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one CAS Name: 4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-5-chloro-1H-pyridazin-6-one IUPAC Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one Traditional Name: 5-chloro-4-(4-piperonyloylpiperazino)-1H-pyridazin-6-one Formula: C16H15ClN4O4 MolecularWeight: 362.7677

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)NN=C2)Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)NN=C2)Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H15ClN4O4/c17-14-11(8-18-19-15(14)22)20-3-5-21(6-4-20)16(23)10-1-2-12-13(7-10)25-9-24-12/h1-2,7-8H,3-6,9H2,(H,19,22)