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

Systemtic Name: 1,3-benzodioxol-5-yl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O5/c1-2-3-6-11-23-20(24)16-8-5-4-7-15(16)19(22-23)21(25)28-14-9-10-17-18(12-14)27-13-26-17/h4-5,7-10,12H,2-3,6,11,13H2,1H3