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

Systemtic Name: 3-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C2CCCCC2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCN1C(=NC(=N1)C2CCCCC2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H28N4O2/c1-2-15-28-21(26-23(27-28)18-11-7-4-8-12-18)16-20-19(24(29)30)13-14-25-22(20)17-9-5-3-6-10-17/h3,5-6,9-10,13-14,18H,2,4,7-8,11-12,15-16H2,1H3,(H,29,30)