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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-28-17-5-2-4-15(12-17)18-8-10-22(27)25(24-18)11-3-6-21(26)23-16-7-9-19-20(13-16)30-14-29-19/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3,(H,23,26)