10-[[6-(methoxymethyl)pyridin-2-yl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione

Systemtic Name: 10-[[6-(methoxymethyl)pyridin-2-yl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione Openeye Name: 10-[[6-(methoxymethyl)-2-pyridyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione CAS Name: 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione IUPAC Name: 10-[[6-(methoxymethyl)pyridin-2-yl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione Traditional Name: 10-[[6-(methoxymethyl)-2-pyridyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-quinone Formula: C16H25N5O3 MolecularWeight: 335.4014

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=CC(=N1)CN2CCNC(=O)CNCC(=O)NCC2

Isomeric SMILES

COCC1=CC=CC(=N1)CN2CCNC(=O)CNCC(=O)NCC2

InChI

InChI=1S/C16H25N5O3/c1-24-12-14-4-2-3-13(20-14)11-21-7-5-18-15(22)9-17-10-16(23)19-6-8-21/h2-4,17H,5-12H2,1H3,(H,18,22)(H,19,23)