1,3-benzodioxol-5-yl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O5/c1-2-3-4-7-12-24-21(25)17-9-6-5-8-16(17)20(23-24)22(26)29-15-10-11-18-19(13-15)28-14-27-18/h5-6,8-11,13H,2-4,7,12,14H2,1H3