(3,4-dimethylphenyl) 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (3,4-dimethylphenyl) 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (3,4-dimethylphenyl) ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H20N2O3/c1-4-11-22-19(23)17-8-6-5-7-16(17)18(21-22)20(24)25-15-10-9-13(2)14(3)12-15/h5-10,12H,4,11H2,1-3H3