4-[4-[2-(1,3-benzodioxol-5-yl)ethanoyl]piperazin-1-yl]-2-cyclooctyl-isoindole-1,3-dione

Systemtic Name: 4-[4-[2-(1,3-benzodioxol-5-yl)ethanoyl]piperazin-1-yl]-2-cyclooctyl-isoindole-1,3-dione Openeye Name: 4-[4-[2-(1,3-benzodioxol-5-yl)acetyl]piperazin-1-yl]-2-cyclooctyl-isoindoline-1,3-dione CAS Name: 4-[4-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-1-piperazinyl]-2-cyclooctylisoindole-1,3-dione IUPAC Name: 4-[4-[2-(1,3-benzodioxol-5-yl)acetyl]piperazin-1-yl]-2-cyclooctylisoindole-1,3-dione Traditional Name: 4-[4-[2-(1,3-benzodioxol-5-yl)acetyl]piperazino]-2-cyclooctyl-isoindoline-1,3-quinone Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCCC(CCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H33N3O5/c33-26(18-20-11-12-24-25(17-20)37-19-36-24)31-15-13-30(14-16-31)23-10-6-9-22-27(23)29(35)32(28(22)34)21-7-4-2-1-3-5-8-21/h6,9-12,17,21H,1-5,7-8,13-16,18-19H2