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

Systemtic Name: 5-[5-(2-cyclohexylethyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 5-[5-(2-cyclohexylethyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid CAS Name: 5-[5-(2-cyclohexylethyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 5-[5-(2-cyclohexylethyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-[5-(2-cyclohexylethyl)-2-propyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-isonicotinic acid Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)CCC2CCCCC2)C3=CN=C(C(=C3C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NC(=N1)CCC2CCCCC2)C3=CN=C(C(=C3C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-3-16-30-25(28-22(29-30)15-14-19-10-6-4-7-11-19)21-17-27-24(18(2)23(21)26(31)32)20-12-8-5-9-13-20/h5,8-9,12-13,17,19H,3-4,6-7,10-11,14-16H2,1-2H3,(H,31,32)