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

Systemtic Name: 4-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-3-carboxylic acid Traditional Name: 4-[(2,5-diamyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-nicotinic acid Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(=N1)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O)CCCCC

Isomeric SMILES

CCCCCC1=NN(C(=N1)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O)CCCCC

InChI

InChI=1S/C25H32N4O2/c1-3-5-8-14-21-27-22(29(28-21)17-11-6-4-2)18-20-15-16-26-24(23(20)25(30)31)19-12-9-7-10-13-19/h7,9-10,12-13,15-16H,3-6,8,11,14,17-18H2,1-2H3,(H,30,31)