3-[6-(4-ethanoylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrole-2,5-dione

Systemtic Name: 3-[6-(4-ethanoylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrole-2,5-dione Openeye Name: 3-[6-(4-acetylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrole-2,5-dione CAS Name: 3-[6-(4-acetyl-1-piperazinyl)hexyl]-4-methyl-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrole-2,5-dione IUPAC Name: 3-[6-(4-acetylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrole-2,5-dione Traditional Name: 3-[6-(4-acetylpiperazino)hexyl]-1-(1-ketophthalan-5-yl)-4-methyl-3-pyrroline-2,5-quinone Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)OC3)CCCCCCN4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)OC3)CCCCCCN4CCN(CC4)C(=O)C

InChI

InChI=1S/C25H31N3O5/c1-17-21(7-5-3-4-6-10-26-11-13-27(14-12-26)18(2)29)24(31)28(23(17)30)20-8-9-22-19(15-20)16-33-25(22)32/h8-9,15H,3-7,10-14,16H2,1-2H3