2-[6-(azepan-1-yl)-6-oxidanylidene-hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-(azepan-1-yl)-6-oxidanylidene-hexyl]isoindole-1,3-dione Openeye Name: 2-[6-(azepan-1-yl)-6-oxo-hexyl]isoindoline-1,3-dione CAS Name: 2-[6-(1-azepanyl)-6-oxohexyl]isoindole-1,3-dione IUPAC Name: 2-[6-(azepan-1-yl)-6-oxohexyl]isoindole-1,3-dione Traditional Name: 2-[6-(azepan-1-yl)-6-keto-hexyl]isoindoline-1,3-quinone Formula: C20H26N2O3 MolecularWeight: 342.43204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H26N2O3/c23-18(21-13-7-1-2-8-14-21)12-4-3-9-15-22-19(24)16-10-5-6-11-17(16)20(22)25/h5-6,10-11H,1-4,7-9,12-15H2