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

Systemtic Name: 5-(5-butanoyl-2-propyl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 5-(5-butanoyl-2-propyl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-methyl-5-[5-(1-oxobutyl)-2-propyl-1,2,4-triazol-3-yl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 5-(5-butanoyl-2-propyl-1,2,4-triazol-3-yl)-4-methyl-2-phenylpyridine-3-carboxylic acid Traditional Name: 5-(5-butyryl-2-propyl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-nicotinic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=NN(C(=N1)C2=CN=C(C(=C2C)C(=O)O)C3=CC=CC=C3)CCC

Isomeric SMILES

CCCC(=O)C1=NN(C(=N1)C2=CN=C(C(=C2C)C(=O)O)C3=CC=CC=C3)CCC

InChI

InChI=1S/C22H24N4O3/c1-4-9-17(27)20-24-21(26(25-20)12-5-2)16-13-23-19(15-10-7-6-8-11-15)18(14(16)3)22(28)29/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,28,29)