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

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(phenylcarbonyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 4-(4-benzoylpiperazin-1-yl)-2-[(2,3-dimethoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-(4-benzoyl-1-piperazinyl)-2-[(2,3-dimethoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-(4-benzoylpiperazin-1-yl)-2-[(2,3-dimethoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-(4-benzoylpiperazino)-2-o-veratryl-isoindoline-1,3-quinone Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O5/c1-35-23-13-6-10-20(25(23)36-2)18-31-27(33)21-11-7-12-22(24(21)28(31)34)29-14-16-30(17-15-29)26(32)19-8-4-3-5-9-19/h3-13H,14-18H2,1-2H3