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

Systemtic Name: 5-(5-butanoyl-2-pentyl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 5-(5-butanoyl-2-pentyl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-methyl-5-[5-(1-oxobutyl)-2-pentyl-1,2,4-triazol-3-yl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 5-(5-butanoyl-2-pentyl-1,2,4-triazol-3-yl)-4-methyl-2-phenylpyridine-3-carboxylic acid Traditional Name: 5-(2-amyl-5-butyryl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-nicotinic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(=O)CCC)C2=CN=C(C(=C2C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(=O)CCC)C2=CN=C(C(=C2C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O3/c1-4-6-10-14-28-23(26-22(27-28)19(29)11-5-2)18-15-25-21(17-12-8-7-9-13-17)20(16(18)3)24(30)31/h7-9,12-13,15H,4-6,10-11,14H2,1-3H3,(H,30,31)