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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=NN1C2=CC=CC3=C2C=CN=C3)C(=O)O

Isomeric SMILES

CC(C)C1=C(N=NN1C2=CC=CC3=C2C=CN=C3)C(=O)O

InChI

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