copper; 5,5-diphenylimidazolidin-3-ide-2,4-dione; 2-phenylethanamine

Systemtic Name: copper; 5,5-diphenylimidazolidin-3-ide-2,4-dione; 2-phenylethanamine Openeye Name: copper; 5,5-diphenylimidazolidin-3-ide-2,4-dione; 2-phenylethanamine CAS Name: copper; 5,5-diphenylimidazolidin-3-ide-2,4-dione; 2-phenylethanamine IUPAC Name: copper; 5,5-diphenylimidazolidin-3-ide-2,4-dione; 2-phenylethanamine Traditional Name: copper; 5,5-diphenylimidazolidin-3-ide-2,4-quinone; phenethylamine Formula: C46H44CuN6O4-2 MolecularWeight: 808.42536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)C2(C(=O)[N-]C(=O)N2)C3=CC=CC=C3.C1=CC=C(C=C1)C2(C(=O)[N-]C(=O)N2)C3=CC=CC=C3.[Cu]

Isomeric SMILES

C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)C2(C(=O)[N-]C(=O)N2)C3=CC=CC=C3.C1=CC=C(C=C1)C2(C(=O)[N-]C(=O)N2)C3=CC=CC=C3.[Cu]

InChI

InChI=1S/2C15H12N2O2.2C8H11N.Cu/c2*18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*9-7-6-8-4-2-1-3-5-8;/h2*1-10H,(H2,16,17,18,19);2*1-5H,6-7,9H2;/p-2