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

Systemtic Name: 3-[6-(4-ethanoylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxidanylidene-2,3-dihydroinden-5-yl)pyrrole-2,5-dione Openeye Name: 3-[6-(4-acetylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxoindan-5-yl)pyrrole-2,5-dione CAS Name: 3-[6-(4-acetyl-1-piperazinyl)hexyl]-4-methyl-1-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2,5-dione IUPAC Name: 3-[6-(4-acetylpiperazin-1-yl)hexyl]-4-methyl-1-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2,5-dione Traditional Name: 3-[6-(4-acetylpiperazino)hexyl]-1-(1-ketoindan-5-yl)-4-methyl-3-pyrroline-2,5-quinone Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-18-22(7-5-3-4-6-12-27-13-15-28(16-14-27)19(2)30)26(33)29(25(18)32)21-9-10-23-20(17-21)8-11-24(23)31/h9-10,17H,3-8,11-16H2,1-2H3