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

Systemtic Name: 3-[(5-butyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(5-butyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(5-butyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(5-butyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(5-butyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CCC

Isomeric SMILES

CCCCC1=NN(C(=N1)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CCC

InChI

InChI=1S/C22H26N4O2/c1-3-5-11-19-24-20(26(25-19)14-4-2)15-18-17(22(27)28)12-13-23-21(18)16-9-7-6-8-10-16/h6-10,12-13H,3-5,11,14-15H2,1-2H3,(H,27,28)