2-[3-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyridazin-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyridazin-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-6-oxo-pyridazin-1-yl]-N-phenethyl-acetamide CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-6-oxo-1-pyridazinyl]-N-phenethylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-phenethylacetamide Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-6-keto-pyridazin-1-yl]-N-phenethyl-acetamide Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C=C3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C=C3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4/c25-20(22-11-10-15-4-2-1-3-5-15)13-24-21(26)9-7-17(23-24)16-6-8-18-19(12-16)28-14-27-18/h1-9,12H,10-11,13-14H2,(H,22,25)