3-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[3-keto-3-[2-(4-methoxyphenyl)ethylamino]propyl]phthalazin-1-olate Formula: C20H20N3O4- MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C20H21N3O4/c1-27-15-8-6-14(7-9-15)10-12-21-18(24)11-13-23-20(26)17-5-3-2-4-16(17)19(25)22-23/h2-9H,10-13H2,1H3,(H,21,24)(H,22,25)/p-1