6-(2-pyridin-2-ylethyl)-1,4,8,11-tetrazacyclotetradecane-5,7-dione

Systemtic Name: 6-(2-pyridin-2-ylethyl)-1,4,8,11-tetrazacyclotetradecane-5,7-dione Openeye Name: 6-[2-(2-pyridyl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione CAS Name: 6-[2-(2-pyridinyl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione IUPAC Name: 6-(2-pyridin-2-ylethyl)-1,4,8,11-tetrazacyclotetradecane-5,7-dione Traditional Name: 6-[2-(2-pyridyl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7-quinone Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(=O)C(C(=O)NCCNC1)CCC2=CC=CC=N2

Isomeric SMILES

C1CNCCNC(=O)C(C(=O)NCCNC1)CCC2=CC=CC=N2

InChI

InChI=1S/C17H27N5O2/c23-16-15(6-5-14-4-1-2-9-20-14)17(24)22-13-11-19-8-3-7-18-10-12-21-16/h1-2,4,9,15,18-19H,3,5-8,10-13H2,(H,21,23)(H,22,24)