2-cyclooctyl-4-[4-(2-oxidanylidenechromen-3-yl)carbonylpiperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-cyclooctyl-4-[4-(2-oxidanylidenechromen-3-yl)carbonylpiperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-cyclooctyl-4-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-cyclooctyl-4-[4-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-cyclooctyl-4-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-cyclooctyl-4-[4-(2-ketochromene-3-carbonyl)piperazino]isoindoline-1,3-quinone Formula: C30H31N3O5 MolecularWeight: 513.58424

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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=CC6=CC=CC=C6OC5=O

Isomeric SMILES

C1CCCC(CCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C30H31N3O5/c34-27(23-19-20-9-6-7-14-25(20)38-30(23)37)32-17-15-31(16-18-32)24-13-8-12-22-26(24)29(36)33(28(22)35)21-10-4-2-1-3-5-11-21/h6-9,12-14,19,21H,1-5,10-11,15-18H2