2-[[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]methyl]-6-phenyl-pyridazin-3-one

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]methyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[[1-(1,3-benzodioxole-5-carbonyl)-4-piperidyl]methyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[[1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-piperidinyl]methyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one Traditional Name: 6-phenyl-2-[(1-piperonyloyl-4-piperidyl)methyl]pyridazin-3-one Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)C=CC(=N2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1CN2C(=O)C=CC(=N2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23N3O4/c28-23-9-7-20(18-4-2-1-3-5-18)25-27(23)15-17-10-12-26(13-11-17)24(29)19-6-8-21-22(14-19)31-16-30-21/h1-9,14,17H,10-13,15-16H2