6-(1,3-benzodioxol-5-yl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-pyridazinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-[2-keto-2-(4-phenylpiperazino)ethyl]pyridazin-3-one Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C=CC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C=CC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N4O4/c28-22-9-7-19(17-6-8-20-21(14-17)31-16-30-20)24-27(22)15-23(29)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2