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

Systemtic Name: 3-[[2-butyl-5-(phenylcarbonyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(5-benzoyl-2-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(5-benzoyl-2-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(5-benzoyl-2-butyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(5-benzoyl-2-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(=O)C2=CC=CC=C2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)C2=CC=CC=C2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H24N4O3/c1-2-3-16-30-22(28-25(29-30)24(31)19-12-8-5-9-13-19)17-21-20(26(32)33)14-15-27-23(21)18-10-6-4-7-11-18/h4-15H,2-3,16-17H2,1H3,(H,32,33)