2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4-(pyridin-4-ylmethyl)-1-phthalazinone IUPAC Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]-4-(4-pyridylmethyl)phthalazin-1-one Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

InChI

InChI=1S/C27H27N5O3/c1-35-25-9-5-4-8-24(25)30-14-16-31(17-15-30)26(33)19-32-27(34)22-7-3-2-6-21(22)23(29-32)18-20-10-12-28-13-11-20/h2-13H,14-19H2,1H3