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

Systemtic Name: 4,7-bis(cyclopentylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione Openeye Name: 4,7-bis(cyclopentylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione CAS Name: 4,7-bis(cyclopentylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione IUPAC Name: 4,7-bis(cyclopentylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione Traditional Name: 4,7-bis(cyclopentylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-quinone Formula: C21H28N4O2 MolecularWeight: 368.47262

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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)C[C]3[CH][CH][CH][CH]3

Isomeric SMILES

C1CN(CCN(CCNC(=O)CC(=O)N1)C[C]2[CH][CH][CH][CH]2)C[C]3[CH][CH][CH][CH]3

InChI

InChI=1S/C21H28N4O2/c26-20-15-21(27)23-10-12-25(17-19-7-3-4-8-19)14-13-24(11-9-22-20)16-18-5-1-2-6-18/h1-8H,9-17H2,(H,22,26)(H,23,27)