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

Systemtic Name: 3-methyl-5-(5-pentanoyl-2-pentyl-1,2,4-triazol-3-yl)-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-methyl-5-(5-pentanoyl-2-pentyl-1,2,4-triazol-3-yl)-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-methyl-5-[5-(1-oxopentyl)-2-pentyl-1,2,4-triazol-3-yl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-methyl-5-(5-pentanoyl-2-pentyl-1,2,4-triazol-3-yl)-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-(2-amyl-5-valeryl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-isonicotinic acid Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-4-6-11-15-29-24(27-23(28-29)20(30)14-7-5-2)19-16-26-22(17(3)21(19)25(31)32)18-12-9-8-10-13-18/h8-10,12-13,16H,4-7,11,14-15H2,1-3H3,(H,31,32)