copper 3-(1H-imidazol-2-yl)isoquinolin-1-amine dinitrate

Systemtic Name: copper 3-(1H-imidazol-2-yl)isoquinolin-1-amine dinitrate Openeye Name: copper 3-(1H-imidazol-2-yl)isoquinolin-1-amine dinitrate CAS Name: copper 3-(1H-imidazol-2-yl)-1-isoquinolinamine dinitrate IUPAC Name: copper 3-(1H-imidazol-2-yl)isoquinolin-1-amine dinitrate Traditional Name: cupric [3-(1H-imidazol-2-yl)-1-isoquinolyl]amine dinitrate Formula: C24H20CuN10O6 MolecularWeight: 608.025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2N)C3=NC=CN3.C1=CC=C2C(=C1)C=C(N=C2N)C3=NC=CN3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2N)C3=NC=CN3.C1=CC=C2C(=C1)C=C(N=C2N)C3=NC=CN3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+2]

InChI

InChI=1S/2C12H10N4.Cu.2NO3/c2*13-11-9-4-2-1-3-8(9)7-10(16-11)12-14-5-6-15-12;;2*2-1(3)4/h2*1-7H,(H2,13,16)(H,14,15);;;/q;;+2;2*-1