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

Systemtic Name: 2-cyclooctyl-4-[4-[2-(3,4-dimethoxyphenyl)ethanoyl]piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-cyclooctyl-4-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-cyclooctyl-4-[4-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-cyclooctyl-4-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-cyclooctyl-4-(4-homoveratroylpiperazino)isoindoline-1,3-quinone Formula: C30H37N3O5 MolecularWeight: 519.63188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCCC5)OC

InChI

InChI=1S/C30H37N3O5/c1-37-25-14-13-21(19-26(25)38-2)20-27(34)32-17-15-31(16-18-32)24-12-8-11-23-28(24)30(36)33(29(23)35)22-9-6-4-3-5-7-10-22/h8,11-14,19,22H,3-7,9-10,15-18,20H2,1-2H3