4-(cyclopentylmethyl)-7-(2-hydroxyethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione

Systemtic Name: 4-(cyclopentylmethyl)-7-(2-hydroxyethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione Openeye Name: 4-(cyclopentylmethyl)-7-(2-hydroxyethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione CAS Name: 4-(cyclopentylmethyl)-7-(2-hydroxyethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione IUPAC Name: 4-(cyclopentylmethyl)-7-(2-hydroxyethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione Traditional Name: 4-(cyclopentylmethyl)-7-(2-hydroxyethyl)-1,4,7,10-tetrazacyclotridecane-11,13-quinone Formula: C17H27N4O3 MolecularWeight: 335.42128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCNC(=O)CC(=O)N1)C[C]2[CH][CH][CH][CH]2)CCO

Isomeric SMILES

C1CN(CCN(CCNC(=O)CC(=O)N1)C[C]2[CH][CH][CH][CH]2)CCO

InChI

InChI=1S/C17H27N4O3/c22-12-11-20-7-5-18-16(23)13-17(24)19-6-8-21(10-9-20)14-15-3-1-2-4-15/h1-4,22H,5-14H2,(H,18,23)(H,19,24)