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

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

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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(=O)CC

Isomeric SMILES

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

InChI

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