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

Systemtic Name: 4-[(2-pentyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 4-[(2-pentyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid CAS Name: 4-[(2-pentyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 4-[(2-pentyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3-phenylpyridine-2-carboxylic acid Traditional Name: 4-[(2-amyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-picolinic 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(=NC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=NC(=N1)C2=CC=CC=C2)CC3=C(C(=NC=C3)C(=O)O)C4=CC=CC=C4

InChI

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