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

Systemtic Name: 3-[(5-butyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(5-butyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(5-butyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(5-butyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(5-butyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-isonicotinic acid Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)C4CCCCC4

Isomeric SMILES

CCCCC1=NC(=NN1CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)C4CCCCC4

InChI

InChI=1S/C25H30N4O2/c1-2-3-14-22-27-24(19-12-8-5-9-13-19)28-29(22)17-21-20(25(30)31)15-16-26-23(21)18-10-6-4-7-11-18/h4,6-7,10-11,15-16,19H,2-3,5,8-9,12-14,17H2,1H3,(H,30,31)