N-(1,3-benzodioxol-5-ylmethyl)-4-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-oxo-3-phenyl-pyridazin-1-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-oxo-3-phenyl-1-pyridazinyl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide Traditional Name: 4-(6-keto-3-phenyl-pyridazin-1-yl)-N-piperonyl-butyramide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c26-21(23-14-16-8-10-19-20(13-16)29-15-28-19)7-4-12-25-22(27)11-9-18(24-25)17-5-2-1-3-6-17/h1-3,5-6,8-11,13H,4,7,12,14-15H2,(H,23,26)