[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-[1-(3,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H21Cl2N3O4 MolecularWeight: 462.32584

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O4/c1-3-10-27-21(29)16-7-5-4-6-15(16)20(26-27)22(30)31-12-19(28)25-13(2)14-8-9-17(23)18(24)11-14/h4-9,11,13H,3,10,12H2,1-2H3,(H,25,28)