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

Systemtic Name: 2-cyclooctyl-4-[4-[2-(2-methoxyphenyl)ethanoyl]piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-cyclooctyl-4-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-cyclooctyl-4-[4-[2-(2-methoxyphenyl)-1-oxoethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-cyclooctyl-4-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-cyclooctyl-4-[4-[2-(2-methoxyphenyl)acetyl]piperazino]isoindoline-1,3-quinone Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCCC5

Isomeric SMILES

COC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCCC5

InChI

InChI=1S/C29H35N3O4/c1-36-25-15-8-7-10-21(25)20-26(33)31-18-16-30(17-19-31)24-14-9-13-23-27(24)29(35)32(28(23)34)22-11-5-3-2-4-6-12-22/h7-10,13-15,22H,2-6,11-12,16-20H2,1H3