5-chloranyl-3-pyridin-2-yl-isoquinolin-1-amine; copper(1+); nitrate

Systemtic Name: 5-chloranyl-3-pyridin-2-yl-isoquinolin-1-amine; copper(1+); nitrate Openeye Name: cuprous 5-chloro-3-(2-pyridyl)isoquinolin-1-amine nitrate CAS Name: 5-chloro-3-(2-pyridinyl)-1-isoquinolinamine; copper(1+); nitrate IUPAC Name: 5-chloro-3-pyridin-2-ylisoquinolin-1-amine; copper(1+); nitrate Traditional Name: cuprous [5-chloro-3-(2-pyridyl)-1-isoquinolyl]amine nitrate Formula: C28H20Cl2CuN7O3 MolecularWeight: 636.9555

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=C3C=CC=C(C3=C2)Cl)N.C1=CC=NC(=C1)C2=NC(=C3C=CC=C(C3=C2)Cl)N.[N+](=O)([O-])[O-].[Cu+]

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=C3C=CC=C(C3=C2)Cl)N.C1=CC=NC(=C1)C2=NC(=C3C=CC=C(C3=C2)Cl)N.[N+](=O)([O-])[O-].[Cu+]

InChI

InChI=1S/2C14H10ClN3.Cu.NO3/c2*15-11-5-3-4-9-10(11)8-13(18-14(9)16)12-6-1-2-7-17-12;;2-1(3)4/h2*1-8H,(H2,16,18);;/q;;+1;-1