3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[4-[2-(4-methoxyphenyl)ethyl]piperidino]ethyl]phthalazin-1-olate Formula: C24H26N3O4- MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C24H27N3O4/c1-31-19-10-8-17(9-11-19)6-7-18-12-14-26(15-13-18)22(28)16-27-24(30)21-5-3-2-4-20(21)23(29)25-27/h2-5,8-11,18H,6-7,12-16H2,1H3,(H,25,29)/p-1