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

Systemtic Name: 1-isoquinolin-5-yl-5-propyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(5-isoquinolyl)-5-propyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(5-isoquinolinyl)-5-propyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-isoquinolin-5-yl-5-propyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(5-isoquinolyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Formula: C15H14N4O2 MolecularWeight: 282.29726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1C2=CC=CC3=C2C=CN=C3)C(=O)O

Isomeric SMILES

CCCC1=NC(=NN1C2=CC=CC3=C2C=CN=C3)C(=O)O

InChI

InChI=1S/C15H14N4O2/c1-2-4-13-17-14(15(20)21)18-19(13)12-6-3-5-10-9-16-8-7-11(10)12/h3,5-9H,2,4H2,1H3,(H,20,21)