6-phenethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione

Systemtic Name: 6-phenethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione Openeye Name: 6-phenethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione CAS Name: 6-phenethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione IUPAC Name: 6-phenethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione Traditional Name: 6-phenethyl-1,4,8,11-tetrazacyclotetradecane-5,7-quinone Formula: C18H28N4O2 MolecularWeight: 332.44052

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(=O)C(C(=O)NCCNC1)CCC2=CC=CC=C2

Isomeric SMILES

C1CNCCNC(=O)C(C(=O)NCCNC1)CCC2=CC=CC=C2

InChI

InChI=1S/C18H28N4O2/c23-17-16(8-7-15-5-2-1-3-6-15)18(24)22-14-12-20-10-4-9-19-11-13-21-17/h1-3,5-6,16,19-20H,4,7-14H2,(H,21,23)(H,22,24)