(2,3,6-trimethylphenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=CC(=C3C)C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=CC(=C3C)C)C

InChI

InChI=1S/C23H26N2O3/c1-5-6-9-14-25-22(26)19-11-8-7-10-18(19)20(24-25)23(27)28-21-16(3)13-12-15(2)17(21)4/h7-8,10-13H,5-6,9,14H2,1-4H3