2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-5-bromanyl-isoindole-1,3-dione

Systemtic Name: 2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-5-bromanyl-isoindole-1,3-dione Openeye Name: 2-[3-(azepan-1-yl)-3-oxo-propyl]-5-bromo-isoindoline-1,3-dione CAS Name: 2-[3-(1-azepanyl)-3-oxopropyl]-5-bromoisoindole-1,3-dione IUPAC Name: 2-[3-(azepan-1-yl)-3-oxopropyl]-5-bromoisoindole-1,3-dione Traditional Name: 2-[3-(azepan-1-yl)-3-keto-propyl]-5-bromo-isoindoline-1,3-quinone Formula: C17H19BrN2O3 MolecularWeight: 379.24836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H19BrN2O3/c18-12-5-6-13-14(11-12)17(23)20(16(13)22)10-7-15(21)19-8-3-1-2-4-9-19/h5-6,11H,1-4,7-10H2