[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O6/c1-2-3-6-11-25-22(27)17-8-5-4-7-16(17)21(24-25)23(28)29-13-18(26)15-9-10-19-20(12-15)31-14-30-19/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3