N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,4-dimethylphenyl)-6-oxo-pyridazin-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,4-dimethylphenyl)-6-oxo-1-pyridazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide Traditional Name: 2-[3-(3,4-dimethylphenyl)-6-keto-pyridazin-1-yl]-N-piperonyl-acetamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H21N3O4/c1-14-3-5-17(9-15(14)2)18-6-8-22(27)25(24-18)12-21(26)23-11-16-4-7-19-20(10-16)29-13-28-19/h3-10H,11-13H2,1-2H3,(H,23,26)