3-methyl-4-oxidanylidene-N'-(1-thiophen-2-ylcarbonylpiperidin-2-yl)carbonyl-phthalazine-1-carbohydrazide

Systemtic Name: 3-methyl-4-oxidanylidene-N'-(1-thiophen-2-ylcarbonylpiperidin-2-yl)carbonyl-phthalazine-1-carbohydrazide Openeye Name: 3-methyl-4-oxo-N'-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]phthalazine-1-carbohydrazide CAS Name: 3-methyl-4-oxo-N'-[oxo-[1-[oxo(thiophen-2-yl)methyl]-2-piperidinyl]methyl]-1-phthalazinecarbohydrazide IUPAC Name: 3-methyl-4-oxo-N'-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]phthalazine-1-carbohydrazide Traditional Name: 4-keto-3-methyl-N'-[1-(2-thenoyl)pipecoloyl]phthalazine-1-carbohydrazide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N5O4S/c1-25-20(29)14-8-3-2-7-13(14)17(24-25)19(28)23-22-18(27)15-9-4-5-11-26(15)21(30)16-10-6-12-31-16/h2-3,6-8,10,12,15H,4-5,9,11H2,1H3,(H,22,27)(H,23,28)