(4-ethylphenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-ethylphenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-ethylphenyl) 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (4-ethylphenyl) 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)CC

Isomeric SMILES

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

InChI

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