2-[[1,4-bis(phenylmethyl)piperazin-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1,4-bis(phenylmethyl)piperazin-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(1,4-dibenzylpiperazin-2-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[1,4-bis(phenylmethyl)-2-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1,4-dibenzylpiperazin-2-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(1,4-dibenzylpiperazin-2-yl)methyl]isoindoline-1,3-quinone Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c31-26-24-13-7-8-14-25(24)27(32)30(26)20-23-19-28(17-21-9-3-1-4-10-21)15-16-29(23)18-22-11-5-2-6-12-22/h1-14,23H,15-20H2