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

Systemtic Name: 5-[5-[1,1-bis(fluoranyl)butyl]-2-butyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 5-[2-butyl-5-(1,1-difluorobutyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid CAS Name: 5-[2-butyl-5-(1,1-difluorobutyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 5-[2-butyl-5-(1,1-difluorobutyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-[2-butyl-5-(1,1-difluorobutyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-isonicotinic acid Formula: C23H26F2N4O2 MolecularWeight: 428.474946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(CCC)(F)F)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NC(=N1)C(CCC)(F)F)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C23H26F2N4O2/c1-4-6-13-29-20(27-22(28-29)23(24,25)12-5-2)17-14-26-19(15(3)18(17)21(30)31)16-10-8-7-9-11-16/h7-11,14H,4-6,12-13H2,1-3H3,(H,30,31)