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

Systemtic Name: 4-[(2-pentyl-5-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-[(2-pentyl-5-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-[(2-pentyl-5-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-[(2-pentyl-5-propyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-3-carboxylic acid Traditional Name: 4-[(2-amyl-5-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-nicotinic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-3-5-9-15-27-20(25-19(26-27)10-4-2)16-18-13-14-24-22(21(18)23(28)29)17-11-7-6-8-12-17/h6-8,11-14H,3-5,9-10,15-16H2,1-2H3,(H,28,29)