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

Systemtic Name: 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl]phthalazine-1-carboxylate Formula: C20H18N3O5- MolecularWeight: 380.37402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-28-14-8-6-13(7-9-14)10-11-21-17(24)12-23-19(25)16-5-3-2-4-15(16)18(22-23)20(26)27/h2-9H,10-12H2,1H3,(H,21,24)(H,26,27)/p-1