5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-(4-piperonyloylpiperazino)pyridazin-3-one Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19ClN4O4/c23-20-17(13-24-27(22(20)29)16-4-2-1-3-5-16)25-8-10-26(11-9-25)21(28)15-6-7-18-19(12-15)31-14-30-18/h1-7,12-13H,8-11,14H2