2-cyclooctyl-4-[4-[4-(4-methylphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-cyclooctyl-4-[4-[4-(4-methylphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-cyclooctyl-4-[4-[4-(p-tolyl)piperazine-1-carbonyl]-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-cyclooctyl-4-[4-[[4-(4-methylphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-cyclooctyl-4-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-cyclooctyl-4-[4-[4-(p-tolyl)piperazine-1-carbonyl]piperidino]isoindoline-1,3-quinone Formula: C33H42N4O3 MolecularWeight: 542.71158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)C6CCCCCCC6

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)C6CCCCCCC6

InChI

InChI=1S/C33H42N4O3/c1-24-12-14-26(15-13-24)34-20-22-36(23-21-34)31(38)25-16-18-35(19-17-25)29-11-7-10-28-30(29)33(40)37(32(28)39)27-8-5-3-2-4-6-9-27/h7,10-15,25,27H,2-6,8-9,16-23H2,1H3