5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione

Systemtic Name: 5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-benzyl-5-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC=CC=C6

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC=CC=C6

InChI

InChI=1S/C29H27N3O4/c33-27(31-13-11-30(12-14-31)18-21-6-9-26-22(16-21)10-15-36-26)23-7-8-24-25(17-23)29(35)32(28(24)34)19-20-4-2-1-3-5-20/h1-9,16-17H,10-15,18-19H2