2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-(5-methyl-3-phenyl-pyrazol-1-yl)pyridazin-3-one

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-(5-methyl-3-phenyl-pyrazol-1-yl)pyridazin-3-one Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-6-(5-methyl-3-phenyl-pyrazol-1-yl)pyridazin-3-one CAS Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-6-(5-methyl-3-phenyl-1-pyrazolyl)-3-pyridazinone IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-one Traditional Name: 2-[2-keto-2-(4-piperonylpiperazino)ethyl]-6-(5-methyl-3-phenyl-pyrazol-1-yl)pyridazin-3-one Formula: C28H28N6O4 MolecularWeight: 512.55972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN(C(=O)C=C2)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=NN1C2=NN(C(=O)C=C2)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C28H28N6O4/c1-20-15-23(22-5-3-2-4-6-22)29-34(20)26-9-10-27(35)33(30-26)18-28(36)32-13-11-31(12-14-32)17-21-7-8-24-25(16-21)38-19-37-24/h2-10,15-16H,11-14,17-19H2,1H3