2-(5-bromanylpyridin-3-yl)-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(5-bromanylpyridin-3-yl)-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-bromo-3-pyridyl)-1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-bromo-3-pyridinyl)-1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-bromopyridin-3-yl)-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-bromo-3-pyridyl)-1-[4-(2-furfuryl)-1,4-diazepan-1-yl]ethanone Formula: C17H20BrN3O2 MolecularWeight: 378.2636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC(=CN=C2)Br)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC(=CN=C2)Br)CC3=CC=CO3

InChI

InChI=1S/C17H20BrN3O2/c18-15-9-14(11-19-12-15)10-17(22)21-5-2-4-20(6-7-21)13-16-3-1-8-23-16/h1,3,8-9,11-12H,2,4-7,10,13H2