[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C26H28N4O7 MolecularWeight: 508.52312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C26H28N4O7/c1-2-3-4-7-12-30-24(32)19-9-6-5-8-18(19)23(29-30)25(33)37-16-22(31)28-26(34)27-17-10-11-20-21(15-17)36-14-13-35-20/h5-6,8-11,15H,2-4,7,12-14,16H2,1H3,(H2,27,28,31,34)