6-(2-pyridin-2-ylethyl)-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione

Systemtic Name: 6-(2-pyridin-2-ylethyl)-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione Openeye Name: 6-[2-(2-pyridyl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione CAS Name: 6-[2-(2-pyridinyl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione IUPAC Name: 6-(2-pyridin-2-ylethyl)-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione Traditional Name: 6-[2-(2-pyridyl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione Formula: C17H25N5O3 MolecularWeight: 347.4121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O3/c23-15-6-8-18-9-10-21-16(24)14(17(25)22-12-11-20-15)5-4-13-3-1-2-7-19-13/h1-3,7,14,18H,4-6,8-12H2,(H,20,23)(H,21,24)(H,22,25)