12-phenethyl-1,4,7,10-tetrazacyclotridecane-11,13-dione

Systemtic Name: 12-phenethyl-1,4,7,10-tetrazacyclotridecane-11,13-dione Openeye Name: 12-phenethyl-1,4,7,10-tetrazacyclotridecane-11,13-dione CAS Name: 12-phenethyl-1,4,7,10-tetrazacyclotridecane-11,13-dione IUPAC Name: 12-phenethyl-1,4,7,10-tetrazacyclotridecane-11,13-dione Traditional Name: 12-phenethyl-1,4,7,10-tetrazacyclotridecane-11,13-quinone Formula: C17H26N4O2 MolecularWeight: 318.41394

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(=O)C(C(=O)NCCN1)CCC2=CC=CC=C2

Isomeric SMILES

C1CNCCNC(=O)C(C(=O)NCCN1)CCC2=CC=CC=C2

InChI

InChI=1S/C17H26N4O2/c22-16-15(7-6-14-4-2-1-3-5-14)17(23)21-13-11-19-9-8-18-10-12-20-16/h1-5,15,18-19H,6-13H2,(H,20,22)(H,21,23)