N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carbohydrazide

Systemtic Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carbohydrazide Openeye Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3-isopropyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-oxo-3-propan-2-yl-1-phthalazinecarbohydrazide IUPAC Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide Traditional Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3-isopropyl-4-keto-phthalazine-1-carbohydrazide Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N4O6S/c1-13(2)25-21(27)16-7-4-3-6-15(16)19(23-25)20(26)22-24-32(28,29)14-8-9-17-18(12-14)31-11-5-10-30-17/h3-4,6-9,12-13,24H,5,10-11H2,1-2H3,(H,22,26)