5-ethyl-1-isoquinolin-5-yl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-ethyl-1-isoquinolin-5-yl-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-ethyl-1-(5-isoquinolyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-ethyl-1-(5-isoquinolinyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-ethyl-1-isoquinolin-5-yl-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-ethyl-1-(5-isoquinolyl)-1,2,4-triazole-3-carboxylic acid Formula: C14H12N4O2 MolecularWeight: 268.27068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1C2=CC=CC3=C2C=CN=C3)C(=O)O

Isomeric SMILES

CCC1=NC(=NN1C2=CC=CC3=C2C=CN=C3)C(=O)O

InChI

InChI=1S/C14H12N4O2/c1-2-12-16-13(14(19)20)17-18(12)11-5-3-4-9-8-15-7-6-10(9)11/h3-8H,2H2,1H3,(H,19,20)