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

Systemtic Name: 2-[[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]benzyl]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=CC(=CC=C4)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)CN5C(=O)C6=CC=CC=C6C5=O

InChI

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