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

Systemtic Name: (3,4-dimethylphenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3,4-dimethylphenyl) 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (3,4-dimethylphenyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC(=C(C=C3)C)C

InChI

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