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

Systemtic Name: 4-[(5-butan-2-yl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-[(2-pentyl-5-sec-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-[(5-butan-2-yl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-[(5-butan-2-yl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-3-carboxylic acid Traditional Name: 4-[(2-amyl-5-sec-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-nicotinic acid Formula: C24H30N4O2 MolecularWeight: 406.5206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(C)CC)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(C)CC)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H30N4O2/c1-4-6-10-15-28-20(26-23(27-28)17(3)5-2)16-19-13-14-25-22(21(19)24(29)30)18-11-8-7-9-12-18/h7-9,11-14,17H,4-6,10,15-16H2,1-3H3,(H,29,30)