6-(1,3-benzodioxol-5-yl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-benzyl-pyridazin-3-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-benzylpyridazin-3-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-benzyl-pyridazin-3-one Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C18H14N2O3/c21-18-9-7-15(14-6-8-16-17(10-14)23-12-22-16)19-20(18)11-13-4-2-1-3-5-13/h1-10H,11-12H2