[1-(4-bromophenyl)-2-oxidanylidene-azepan-3-yl]carbamoylboron

Systemtic Name: [1-(4-bromophenyl)-2-oxidanylidene-azepan-3-yl]carbamoylboron Openeye Name: [1-(4-bromophenyl)-2-oxo-azepan-3-yl]carbamoylboron CAS Name: [[[1-(4-bromophenyl)-2-oxo-3-azepanyl]amino]-oxomethyl]boron IUPAC Name: [1-(4-bromophenyl)-2-oxoazepan-3-yl]carbamoylboron Traditional Name: [1-(4-bromophenyl)-2-keto-azepan-3-yl]carbamoylboron Formula: C13H14BBrN2O2 MolecularWeight: 320.97746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NC1CCCCN(C1=O)C2=CC=C(C=C2)Br

Isomeric SMILES

[B]C(=O)NC1CCCCN(C1=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H14BBrN2O2/c14-13(19)16-11-3-1-2-8-17(12(11)18)10-6-4-9(15)5-7-10/h4-7,11H,1-3,8H2,(H,16,19)