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

Systemtic Name: 4-(cyclopentylmethyl)-7-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione Openeye Name: 4-(cyclopentylmethyl)-7-(2-pyridylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione CAS Name: 4-(cyclopentylmethyl)-7-(2-pyridinylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione IUPAC Name: 4-(cyclopentylmethyl)-7-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione Traditional Name: 4-(cyclopentylmethyl)-7-(2-pyridylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-quinone Formula: C21H28N5O2 MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCNC(=O)CC(=O)N1)C[C]2[CH][CH][CH][CH]2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN(CCNC(=O)CC(=O)N1)C[C]2[CH][CH][CH][CH]2)CC3=CC=CC=N3

InChI

InChI=1S/C21H28N5O2/c27-20-15-21(28)24-10-12-26(17-19-7-3-4-8-22-19)14-13-25(11-9-23-20)16-18-5-1-2-6-18/h1-8H,9-17H2,(H,23,27)(H,24,28)