2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-methylbenzoyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-methylbenzoyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 4-(4-o-toluoylpiperazino)-2-o-veratryl-isoindoline-1,3-quinone Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=C(C(=CC=C5)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=C(C(=CC=C5)OC)OC

InChI

InChI=1S/C29H29N3O5/c1-19-8-4-5-10-21(19)27(33)31-16-14-30(15-17-31)23-12-7-11-22-25(23)29(35)32(28(22)34)18-20-9-6-13-24(36-2)26(20)37-3/h4-13H,14-18H2,1-3H3