12-(2-pyridin-2-ylethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione

Systemtic Name: 12-(2-pyridin-2-ylethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione Openeye Name: 12-[2-(2-pyridyl)ethyl]-1,4,7,10-tetrazacyclotridecane-11,13-dione CAS Name: 12-[2-(2-pyridinyl)ethyl]-1,4,7,10-tetrazacyclotridecane-11,13-dione IUPAC Name: 12-(2-pyridin-2-ylethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione Traditional Name: 12-[2-(2-pyridyl)ethyl]-1,4,7,10-tetrazacyclotridecane-11,13-quinone Formula: C16H25N5O2 MolecularWeight: 319.402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(=O)C(C(=O)NCCN1)CCC2=CC=CC=N2

Isomeric SMILES

C1CNCCNC(=O)C(C(=O)NCCN1)CCC2=CC=CC=N2

InChI

InChI=1S/C16H25N5O2/c22-15-14(5-4-13-3-1-2-6-19-13)16(23)21-12-10-18-8-7-17-9-11-20-15/h1-3,6,14,17-18H,4-5,7-12H2,(H,20,22)(H,21,23)