4-(1,3-benzodioxol-5-ylcarbonyl)-2-methyl-5-pyridin-4-yl-4H-pyrazol-3-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-2-methyl-5-pyridin-4-yl-4H-pyrazol-3-one Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-2-methyl-5-(4-pyridyl)-4H-pyrazol-3-one CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-2-methyl-5-pyridin-4-yl-4H-pyrazol-3-one IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-2-methyl-5-pyridin-4-yl-4H-pyrazol-3-one Traditional Name: 2-methyl-4-piperonyloyl-5-(4-pyridyl)-2-pyrazolin-3-one Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=N1)C2=CC=NC=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=O)C(C(=N1)C2=CC=NC=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H13N3O4/c1-20-17(22)14(15(19-20)10-4-6-18-7-5-10)16(21)11-2-3-12-13(8-11)24-9-23-12/h2-8,14H,9H2,1H3