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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(3-pyridylmethyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(3-pyridinylmethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(3-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=CN=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CN=CC=C5)OC

InChI

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