3-isoquinolin-3-yl-[1,2,4]triazino[5,6-f][4,7]phenanthroline

Systemtic Name: 3-isoquinolin-3-yl-[1,2,4]triazino[5,6-f][4,7]phenanthroline Openeye Name: 3-(3-isoquinolyl)-[1,2,4]triazino[5,6-f][4,7]phenanthroline CAS Name: 3-(3-isoquinolinyl)-[1,2,4]triazino[5,6-f][4,7]phenanthroline IUPAC Name: 3-isoquinolin-3-yl-[1,2,4]triazino[5,6-f][4,7]phenanthroline Traditional Name: 3-(3-isoquinolyl)-[1,2,4]triazino[5,6-f][4,7]phenanthroline Formula: C22H12N6 MolecularWeight: 360.37088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C3=NC4=C5C(=C6C=CC=NC6=C4N=N3)C=CC=N5

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C3=NC4=C5C(=C6C=CC=NC6=C4N=N3)C=CC=N5

InChI

InChI=1S/C22H12N6/c1-2-6-14-12-25-17(11-13(14)5-1)22-26-20-18-15(7-3-9-23-18)16-8-4-10-24-19(16)21(20)27-28-22/h1-12H