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

Systemtic Name: 2-butyl-5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H29N3O4/c1-2-3-9-29-25(31)21-6-5-20(16-22(21)26(29)32)24(30)28-12-10-27(11-13-28)17-18-4-7-23-19(15-18)8-14-33-23/h4-7,15-16H,2-3,8-14,17H2,1H3