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

Systemtic Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-keto-phthalazine-1-carbohydrazide Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H26N4O6S/c1-2-3-6-12-27-23(29)18-9-5-4-8-17(18)21(25-27)22(28)24-26-34(30,31)16-10-11-19-20(15-16)33-14-7-13-32-19/h4-5,8-11,15,26H,2-3,6-7,12-14H2,1H3,(H,24,28)