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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC(C)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC(C)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O4/c1-4-27-21(29)17-8-6-5-7-16(17)19(26-27)22(30)31-13(3)20(28)25-12(2)15-10-9-14(23)11-18(15)24/h5-13H,4H2,1-3H3,(H,25,28)