5-(1,3-benzodioxol-5-yl)-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-8-one

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-8-one Openeye Name: 5-(1,3-benzodioxol-5-yl)-7-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-8-one CAS Name: 5-(1,3-benzodioxol-5-yl)-7-(pyridin-4-ylmethyl)-8-pyrido[2,3-d]pyridazinone IUPAC Name: 5-(1,3-benzodioxol-5-yl)-7-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-8-one Traditional Name: 5-(1,3-benzodioxol-5-yl)-7-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-8-one Formula: C20H14N4O3 MolecularWeight: 358.35016

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C4=C3C=CC=N4)CC5=CC=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C4=C3C=CC=N4)CC5=CC=NC=C5

InChI

InChI=1S/C20H14N4O3/c25-20-19-15(2-1-7-22-19)18(14-3-4-16-17(10-14)27-12-26-16)23-24(20)11-13-5-8-21-9-6-13/h1-10H,11-12H2