4-oxidanylidene-N'-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonyl-3H-phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-N'-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonyl-3H-phthalazine-1-carbohydrazide Openeye Name: 4-oxo-N'-[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]-3H-phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]-3H-phthalazine-1-carbohydrazide IUPAC Name: 4-oxo-N'-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)-3H-phthalazine-1-carbohydrazide Traditional Name: 4-keto-N'-[1-(3-pyridylsulfonyl)isonipecotoyl]-3H-phthalazine-1-carbohydrazide Formula: C20H20N6O5S MolecularWeight: 456.475

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H20N6O5S/c27-18(13-7-10-26(11-8-13)32(30,31)14-4-3-9-21-12-14)23-25-20(29)17-15-5-1-2-6-16(15)19(28)24-22-17/h1-6,9,12-13H,7-8,10-11H2,(H,23,27)(H,24,28)(H,25,29)