N-(1,3-benzodioxol-5-yl)-2-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(p-tolyl)pyridazin-1-yl]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[6-keto-3-(p-tolyl)pyridazin-1-yl]butyramide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)N3C(=O)C=CC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)N3C(=O)C=CC(=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H21N3O4/c1-3-18(22(27)23-16-8-10-19-20(12-16)29-13-28-19)25-21(26)11-9-17(24-25)15-6-4-14(2)5-7-15/h4-12,18H,3,13H2,1-2H3,(H,23,27)