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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

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