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

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-phthalazine-1-carbohydrazide Openeye Name: 3-benzyl-4-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3-(phenylmethyl)-1-phthalazinecarbohydrazide IUPAC Name: 3-benzyl-4-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)phthalazine-1-carbohydrazide Traditional Name: 3-benzyl-4-keto-N'-(4-pyrrolidinosulfonylbenzoyl)phthalazine-1-carbohydrazide Formula: C27H25N5O5S MolecularWeight: 531.5829

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O5S/c33-25(20-12-14-21(15-13-20)38(36,37)31-16-6-7-17-31)28-29-26(34)24-22-10-4-5-11-23(22)27(35)32(30-24)18-19-8-2-1-3-9-19/h1-5,8-15H,6-7,16-18H2,(H,28,33)(H,29,34)