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

Systemtic Name: 4-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 4-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid CAS Name: 4-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 4-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-3-phenylpyridine-2-carboxylic acid Traditional Name: 4-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-3-phenyl-picolinic acid Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=NN1CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2/c1-2-3-14-21-27-24(19-12-8-5-9-13-19)28-29(21)17-20-15-16-26-23(25(30)31)22(20)18-10-6-4-7-11-18/h4-13,15-16H,2-3,14,17H2,1H3,(H,30,31)