(2-methoxyphenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (2-methoxyphenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (2-methoxyphenyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (2-methoxyphenyl) ester Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC=C3OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC=C3OC

InChI

InChI=1S/C21H22N2O4/c1-3-4-9-14-23-20(24)16-11-6-5-10-15(16)19(22-23)21(25)27-18-13-8-7-12-17(18)26-2/h5-8,10-13H,3-4,9,14H2,1-2H3