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

Systemtic Name: 3-methyl-5-(2-pentyl-5-propanoyl-1,2,4-triazol-3-yl)-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-methyl-5-(2-pentyl-5-propanoyl-1,2,4-triazol-3-yl)-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-methyl-5-[5-(1-oxopropyl)-2-pentyl-1,2,4-triazol-3-yl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-methyl-5-(2-pentyl-5-propanoyl-1,2,4-triazol-3-yl)-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-(2-amyl-5-propionyl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-isonicotinic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-4-6-10-13-27-22(25-21(26-27)18(28)5-2)17-14-24-20(15(3)19(17)23(29)30)16-11-8-7-9-12-16/h7-9,11-12,14H,4-6,10,13H2,1-3H3,(H,29,30)