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

Systemtic Name: 3-[(2-pentyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(2-pentyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(2-pentyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(2-pentyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2-amyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C2=CC=CC=C2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C2=CC=CC=C2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H26N4O2/c1-2-3-10-17-30-23(28-25(29-30)20-13-8-5-9-14-20)18-22-21(26(31)32)15-16-27-24(22)19-11-6-4-7-12-19/h4-9,11-16H,2-3,10,17-18H2,1H3,(H,31,32)