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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=NN1CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4

InChI

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