(4-propanoylphenyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (4-propanoylphenyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (4-propanoylphenyl) 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (4-propionylphenyl) ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-4-18(24)14-9-11-15(12-10-14)27-21(26)19-16-7-5-6-8-17(16)20(25)23(22-19)13(2)3/h5-13H,4H2,1-3H3