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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=C(C=CN=C3)C(=O)O)C4CCCCC4

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=C(C=CN=C3)C(=O)O)C4CCCCC4

InChI

InChI=1S/C25H30N4O2/c1-2-3-9-23-27-24(20-7-5-4-6-8-20)28-29(23)17-18-10-12-19(13-11-18)22-16-26-15-14-21(22)25(30)31/h10-16,20H,2-9,17H2,1H3,(H,30,31)