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

Systemtic Name: 3-methyl-5-[2-pentyl-5-(2-phenylethanoyl)-1,2,4-triazol-3-yl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-methyl-5-[2-pentyl-5-(2-phenylacetyl)-1,2,4-triazol-3-yl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-methyl-5-[5-(1-oxo-2-phenylethyl)-2-pentyl-1,2,4-triazol-3-yl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-methyl-5-[2-pentyl-5-(2-phenylacetyl)-1,2,4-triazol-3-yl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-[2-amyl-5-(2-phenylacetyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-isonicotinic acid Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=CN=C(C(=C3C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=CN=C(C(=C3C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3/c1-3-4-11-16-32-27(30-26(31-32)23(33)17-20-12-7-5-8-13-20)22-18-29-25(19(2)24(22)28(34)35)21-14-9-6-10-15-21/h5-10,12-15,18H,3-4,11,16-17H2,1-2H3,(H,34,35)