5-(azepan-1-ylmethyl)-3-bromanyl-4,5-dimethyl-furan-2-one

Systemtic Name: 5-(azepan-1-ylmethyl)-3-bromanyl-4,5-dimethyl-furan-2-one Openeye Name: 5-(azepan-1-ylmethyl)-3-bromo-4,5-dimethyl-furan-2-one CAS Name: 5-(1-azepanylmethyl)-3-bromo-4,5-dimethyl-2-furanone IUPAC Name: 5-(azepan-1-ylmethyl)-3-bromo-4,5-dimethylfuran-2-one Traditional Name: 5-(azepan-1-ylmethyl)-3-bromo-4,5-dimethyl-furan-2-one Formula: C13H20BrNO2 MolecularWeight: 302.2074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC1(C)CN2CCCCCC2)Br

Isomeric SMILES

CC1=C(C(=O)OC1(C)CN2CCCCCC2)Br

InChI

InChI=1S/C13H20BrNO2/c1-10-11(14)12(16)17-13(10,2)9-15-7-5-3-4-6-8-15/h3-9H2,1-2H3