2-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]methyl]isoindoline-1,3-quinone Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O)OC)OC

InChI

InChI=1S/C23H27N3O4/c1-16-12-20(29-2)21(30-3)13-17(16)14-24-8-10-25(11-9-24)15-26-22(27)18-6-4-5-7-19(18)23(26)28/h4-7,12-13H,8-11,14-15H2,1-3H3