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

Systemtic Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]phthalazine-1-carboxylate Formula: C22H21N4O5- MolecularWeight: 421.42594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-31-16-8-6-15(7-9-16)24-10-12-25(13-11-24)19(27)14-26-21(28)18-5-3-2-4-17(18)20(23-26)22(29)30/h2-9H,10-14H2,1H3,(H,29,30)/p-1