1-[4,7,10-tris(2-oxidanylidenepropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-one

Systemtic Name: 1-[4,7,10-tris(2-oxidanylidenepropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-one Openeye Name: 1-(4,7,10-triacetonyl-1,4,7,10-tetrazacyclododec-1-yl)propan-2-one CAS Name: 1-[4,7,10-tris(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]-2-propanone IUPAC Name: 1-[4,7,10-tris(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-one Traditional Name: 1-(4,7,10-triacetonyl-1,4,7,10-tetrazacyclododec-1-yl)acetone Formula: C20H36N4O4 MolecularWeight: 396.52424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)C)CC(=O)C)CC(=O)C

Isomeric SMILES

CC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)C)CC(=O)C)CC(=O)C

InChI

InChI=1S/C20H36N4O4/c1-17(25)13-21-5-7-22(14-18(2)26)9-11-24(16-20(4)28)12-10-23(8-6-21)15-19(3)27/h5-16H2,1-4H3