N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide Traditional Name: 2-[1-keto-4-(2-thienyl)phthalazin-2-yl]-N-piperonyl-acetamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C22H17N3O4S/c26-20(23-11-14-7-8-17-18(10-14)29-13-28-17)12-25-22(27)16-5-2-1-4-15(16)21(24-25)19-6-3-9-30-19/h1-10H,11-13H2,(H,23,26)