N-(1,3-benzodioxol-5-yl)-4-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]butyramide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O5/c1-28-17-7-4-15(5-8-17)18-9-11-22(27)25(24-18)12-2-3-21(26)23-16-6-10-19-20(13-16)30-14-29-19/h4-11,13H,2-3,12,14H2,1H3,(H,23,26)