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

Systemtic Name: 3-[6-(4-cyclobutylcarbonylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrole-2,5-dione Openeye Name: 3-[6-[4-(cyclobutanecarbonyl)piperazin-1-yl]hexyl]-4-methyl-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrole-2,5-dione CAS Name: 3-[6-[4-[cyclobutyl(oxo)methyl]-1-piperazinyl]hexyl]-4-methyl-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrole-2,5-dione IUPAC Name: 3-[6-[4-(cyclobutanecarbonyl)piperazin-1-yl]hexyl]-4-methyl-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrole-2,5-dione Traditional Name: 3-[6-[4-(cyclobutanecarbonyl)piperazino]hexyl]-1-(1-ketophthalan-5-yl)-4-methyl-3-pyrroline-2,5-quinone Formula: C28H35N3O5 MolecularWeight: 493.5946

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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)C5CCC5

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)OC3)CCCCCCN4CCN(CC4)C(=O)C5CCC5

InChI

InChI=1S/C28H35N3O5/c1-19-23(27(34)31(25(19)32)22-10-11-24-21(17-22)18-36-28(24)35)9-4-2-3-5-12-29-13-15-30(16-14-29)26(33)20-7-6-8-20/h10-11,17,20H,2-9,12-16,18H2,1H3