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

Systemtic Name: 4-[[2-pentyl-5-(phenylcarbonyl)-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-[(5-benzoyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-[(5-benzoyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-[(5-benzoyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-3-carboxylic acid Traditional Name: 4-[(2-amyl-5-benzoyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-nicotinic acid Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3/c1-2-3-10-17-31-22(29-26(30-31)25(32)20-13-8-5-9-14-20)18-21-15-16-28-24(23(21)27(33)34)19-11-6-4-7-12-19/h4-9,11-16H,2-3,10,17-18H2,1H3,(H,33,34)