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

Systemtic Name: 4-[(5-butyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-[(5-butyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-[(5-butyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-[(5-butyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-3-carboxylic acid Traditional Name: 4-[(2-amyl-5-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-nicotinic acid Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)CCCC)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)CCCC)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H30N4O2/c1-3-5-10-16-28-21(26-20(27-28)13-6-4-2)17-19-14-15-25-23(22(19)24(29)30)18-11-8-7-9-12-18/h7-9,11-12,14-15H,3-6,10,13,16-17H2,1-2H3,(H,29,30)