(4-propanoylphenyl) 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-propanoylphenyl) 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-propanoylphenyl) 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid (4-propionylphenyl) ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

InChI

InChI=1S/C20H18N2O4/c1-3-17(23)13-9-11-14(12-10-13)26-20(25)18-15-7-5-6-8-16(15)19(24)22(4-2)21-18/h5-12H,3-4H2,1-2H3