3-methyl-4-oxidanylidene-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-phthalazine-1-carbohydrazide

Systemtic Name: 3-methyl-4-oxidanylidene-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-phthalazine-1-carbohydrazide Openeye Name: 3-methyl-4-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)phthalazine-1-carbohydrazide CAS Name: 3-methyl-4-oxo-N'-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-phthalazinecarbohydrazide IUPAC Name: 3-methyl-4-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)phthalazine-1-carbohydrazide Traditional Name: 4-keto-3-methyl-N'-(4-pyrrolidinosulfonylbenzoyl)phthalazine-1-carbohydrazide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N5O5S/c1-25-21(29)17-7-3-2-6-16(17)18(24-25)20(28)23-22-19(27)14-8-10-15(11-9-14)32(30,31)26-12-4-5-13-26/h2-3,6-11H,4-5,12-13H2,1H3,(H,22,27)(H,23,28)