2-cyclooctyl-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)isoindole-1,3-dione

Systemtic Name: 2-cyclooctyl-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)isoindole-1,3-dione Openeye Name: 2-cyclooctyl-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-cyclooctyl-4-[4-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-cyclooctyl-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-cyclooctyl-4-(4-pyrazinoylpiperazino)isoindoline-1,3-quinone Formula: C25H29N5O3 MolecularWeight: 447.52946

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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)C5=NC=CN=C5

Isomeric SMILES

C1CCCC(CCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=NC=CN=C5

InChI

InChI=1S/C25H29N5O3/c31-23-19-9-6-10-21(22(19)25(33)30(23)18-7-4-2-1-3-5-8-18)28-13-15-29(16-14-28)24(32)20-17-26-11-12-27-20/h6,9-12,17-18H,1-5,7-8,13-16H2