2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(2,5-dimethoxybenzyl)piperazino]-2-keto-ethyl]phthalazin-1-one Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C23H26N4O4/c1-30-19-7-8-21(31-2)18(13-19)15-25-9-11-26(12-10-25)22(28)16-27-23(29)20-6-4-3-5-17(20)14-24-27/h3-8,13-14H,9-12,15-16H2,1-2H3