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

Systemtic Name: 3-methyl-2-phenyl-5-[5-(2-phenylethanoyl)-2-propyl-1,2,4-triazol-3-yl]pyridine-4-carboxylic acid Openeye Name: 3-methyl-2-phenyl-5-[5-(2-phenylacetyl)-2-propyl-1,2,4-triazol-3-yl]pyridine-4-carboxylic acid CAS Name: 3-methyl-5-[5-(1-oxo-2-phenylethyl)-2-propyl-1,2,4-triazol-3-yl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-methyl-2-phenyl-5-[5-(2-phenylacetyl)-2-propyl-1,2,4-triazol-3-yl]pyridine-4-carboxylic acid Traditional Name: 3-methyl-2-phenyl-5-[5-(2-phenylacetyl)-2-propyl-1,2,4-triazol-3-yl]isonicotinic acid Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=CN=C(C(=C3C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=CN=C(C(=C3C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3/c1-3-14-30-25(28-24(29-30)21(31)15-18-10-6-4-7-11-18)20-16-27-23(17(2)22(20)26(32)33)19-12-8-5-9-13-19/h4-13,16H,3,14-15H2,1-2H3,(H,32,33)