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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C2=CC=CC=C2)CC3=C(C(=NC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NC(=N1)C2=CC=CC=C2)CC3=C(C(=NC=C3)C(=O)O)C4=CC=CC=C4

InChI

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