copper 3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-dione

Systemtic Name: copper 3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-dione Openeye Name: copper 3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-dione CAS Name: copper 3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-dione IUPAC Name: copper 3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-dione Traditional Name: cupric 3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-quinone Formula: C24H28CuN12O4+2 MolecularWeight: 612.10312

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC2C(=O)NC(C(=O)N2)CC3=CN=CN3.C1=C(NC=N1)CC2C(=O)NC(C(=O)N2)CC3=CN=CN3.[Cu+2]

Isomeric SMILES

C1=C(NC=N1)CC2C(=O)NC(C(=O)N2)CC3=CN=CN3.C1=C(NC=N1)CC2C(=O)NC(C(=O)N2)CC3=CN=CN3.[Cu+2]

InChI

InChI=1S/2C12H14N6O2.Cu/c2*19-11-9(1-7-3-13-5-15-7)17-12(20)10(18-11)2-8-4-14-6-16-8;/h2*3-6,9-10H,1-2H2,(H,13,15)(H,14,16)(H,17,20)(H,18,19);/q;;+2