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

Systemtic Name: 3-methyl-2-phenyl-5-(5-propanoyl-2-propyl-1,2,4-triazol-3-yl)pyridine-4-carboxylic acid Openeye Name: 3-methyl-2-phenyl-5-(5-propanoyl-2-propyl-1,2,4-triazol-3-yl)pyridine-4-carboxylic acid CAS Name: 3-methyl-5-[5-(1-oxopropyl)-2-propyl-1,2,4-triazol-3-yl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-methyl-2-phenyl-5-(5-propanoyl-2-propyl-1,2,4-triazol-3-yl)pyridine-4-carboxylic acid Traditional Name: 3-methyl-2-phenyl-5-(5-propionyl-2-propyl-1,2,4-triazol-3-yl)isonicotinic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C(=O)CC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NC(=N1)C(=O)CC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-4-11-25-20(23-19(24-25)16(26)5-2)15-12-22-18(13(3)17(15)21(27)28)14-9-7-6-8-10-14/h6-10,12H,4-5,11H2,1-3H3,(H,27,28)