8-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)isoquinolin-5-amine

Systemtic Name: 8-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)isoquinolin-5-amine Openeye Name: 8-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)isoquinolin-5-amine CAS Name: 8-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-isoquinolinamine IUPAC Name: 8-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)isoquinolin-5-amine Traditional Name: (8-nitro-5-isoquinolyl)-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amine Formula: C16H12N6O2 MolecularWeight: 320.30548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN=C(N2C=C1)CNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NN=C(N2C=C1)CNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O2/c23-22(24)14-5-4-13(11-6-7-17-9-12(11)14)18-10-16-20-19-15-3-1-2-8-21(15)16/h1-9,18H,10H2