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

Systemtic Name: 5-(2-butyl-5-propanoyl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 5-(2-butyl-5-propanoyl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-pyridine-4-carboxylic acid CAS Name: 5-[2-butyl-5-(1-oxopropyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 5-(2-butyl-5-propanoyl-1,2,4-triazol-3-yl)-3-methyl-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-(2-butyl-5-propionyl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-isonicotinic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(=O)CC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-4-6-12-26-21(24-20(25-26)17(27)5-2)16-13-23-19(14(3)18(16)22(28)29)15-10-8-7-9-11-15/h7-11,13H,4-6,12H2,1-3H3,(H,28,29)