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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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