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

Systemtic Name: 5-chloranyl-3-pyridin-2-yl-isoquinolin-1-amine; copper(1+) Openeye Name: cuprous 5-chloro-3-(2-pyridyl)isoquinolin-1-amine CAS Name: 5-chloro-3-(2-pyridinyl)-1-isoquinolinamine; copper(1+) IUPAC Name: 5-chloro-3-pyridin-2-ylisoquinolin-1-amine; copper(1+) Traditional Name: cuprous [5-chloro-3-(2-pyridyl)-1-isoquinolyl]amine Formula: C28H20Cl2CuN6+ MolecularWeight: 574.9506

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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.[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.[Cu+]

InChI

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