N'-[2-(1-oxidanylidenephthalazin-2-yl)ethanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide

Systemtic Name: N'-[2-(1-oxidanylidenephthalazin-2-yl)ethanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide Openeye Name: N'-[2-(1-oxophthalazin-2-yl)acetyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide CAS Name: N'-[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzohydrazide IUPAC Name: N'-[2-(1-oxophthalazin-2-yl)acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide Traditional Name: N'-[2-(1-ketophthalazin-2-yl)acetyl]-4-pyrrolidinosulfonyl-benzohydrazide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H21N5O5S/c27-19(14-26-21(29)18-6-2-1-5-16(18)13-22-26)23-24-20(28)15-7-9-17(10-8-15)32(30,31)25-11-3-4-12-25/h1-2,5-10,13H,3-4,11-12,14H2,(H,23,27)(H,24,28)