[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCCC3=CC=CC=C3OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCCC3=CC=CC=C3OC

InChI

InChI=1S/C21H21N3O5/c1-24-20(26)16-9-5-4-8-15(16)19(23-24)21(27)29-13-18(25)22-12-11-14-7-3-6-10-17(14)28-2/h3-10H,11-13H2,1-2H3,(H,22,25)