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

Systemtic Name: (2,3,6-trimethylphenyl) 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=CC(=C3C)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=CC(=C3C)C)C

InChI

InChI=1S/C21H22N2O3/c1-5-12-23-20(24)17-9-7-6-8-16(17)18(22-23)21(25)26-19-14(3)11-10-13(2)15(19)4/h6-11H,5,12H2,1-4H3