2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(2-pyridylmethyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(2-pyridinylmethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(2-pyridylmethyl)piperazino]-2-veratryl-isoindoline-1,3-quinone Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CC=N5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CC=N5)OC

InChI

InChI=1S/C27H28N4O4/c1-34-23-10-9-19(16-24(23)35-2)17-31-26(32)21-7-5-8-22(25(21)27(31)33)30-14-12-29(13-15-30)18-20-6-3-4-11-28-20/h3-11,16H,12-15,17-18H2,1-2H3