2-[7-(azepan-1-yl)-7-oxidanylidene-heptyl]isoindole-1,3-dione

Systemtic Name: 2-[7-(azepan-1-yl)-7-oxidanylidene-heptyl]isoindole-1,3-dione Openeye Name: 2-[7-(azepan-1-yl)-7-oxo-heptyl]isoindoline-1,3-dione CAS Name: 2-[7-(1-azepanyl)-7-oxoheptyl]isoindole-1,3-dione IUPAC Name: 2-[7-(azepan-1-yl)-7-oxoheptyl]isoindole-1,3-dione Traditional Name: 2-[7-(azepan-1-yl)-7-keto-heptyl]isoindoline-1,3-quinone Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H28N2O3/c24-19(22-14-8-3-4-9-15-22)13-5-1-2-10-16-23-20(25)17-11-6-7-12-18(17)21(23)26/h6-7,11-12H,1-5,8-10,13-16H2