(3,4-dichlorophenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (3,4-dichlorophenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (3,4-dichlorophenyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (3,4-dichlorophenyl) ester IUPAC Name: (3,4-dichlorophenyl) 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (3,4-dichlorophenyl) ester Formula: C20H18Cl2N2O3 MolecularWeight: 405.27452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O3/c1-2-3-6-11-24-19(25)15-8-5-4-7-14(15)18(23-24)20(26)27-13-9-10-16(21)17(22)12-13/h4-5,7-10,12H,2-3,6,11H2,1H3