4,7-dimethyl-12-oxidanyl-1,10-bis(phenylmethyl)-1,4,7,10-tetrazacyclotridecane-3,8-dione

Systemtic Name: 4,7-dimethyl-12-oxidanyl-1,10-bis(phenylmethyl)-1,4,7,10-tetrazacyclotridecane-3,8-dione Openeye Name: 1,10-dibenzyl-12-hydroxy-4,7-dimethyl-1,4,7,10-tetrazacyclotridecane-3,8-dione CAS Name: 12-hydroxy-4,7-dimethyl-1,10-bis(phenylmethyl)-1,4,7,10-tetrazacyclotridecane-3,8-dione IUPAC Name: 1,10-dibenzyl-12-hydroxy-4,7-dimethyl-1,4,7,10-tetrazacyclotridecane-3,8-dione Traditional Name: 1,10-dibenzyl-12-hydroxy-4,7-dimethyl-1,4,7,10-tetrazacyclotridecane-3,8-quinone Formula: C25H34N4O3 MolecularWeight: 438.56246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(=O)CN(CC(CN(CC1=O)CC2=CC=CC=C2)O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1CCN(C(=O)CN(CC(CN(CC1=O)CC2=CC=CC=C2)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H34N4O3/c1-26-13-14-27(2)25(32)20-29(16-22-11-7-4-8-12-22)18-23(30)17-28(19-24(26)31)15-21-9-5-3-6-10-21/h3-12,23,30H,13-20H2,1-2H3