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

Systemtic Name: 3-[(2-butyl-5-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(2-butyl-5-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(2-butyl-5-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(2-butyl-5-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2-butyl-5-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)CC)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)CC)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N4O2/c1-3-5-13-25-19(23-18(4-2)24-25)14-17-16(21(26)27)11-12-22-20(17)15-9-7-6-8-10-15/h6-12H,3-5,13-14H2,1-2H3,(H,26,27)