3-[(5-methyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid

Systemtic Name: 3-[(5-methyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(5-methyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(5-methyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(5-methyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2-amyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N4O2/c1-3-4-8-13-25-19(23-15(2)24-25)14-18-17(21(26)27)11-12-22-20(18)16-9-6-5-7-10-16/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,26,27)