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

Systemtic Name: 2-[2-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]pyridine-4-carboxylic acid Openeye Name: 2-[2-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]pyridine-4-carboxylic acid CAS Name: 2-[2-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[2-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]pyridine-4-carboxylic acid Traditional Name: 2-[2-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]isonicotinic acid Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=CC=C2C3=NC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=CC=C2C3=NC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2/c1-2-3-13-23-27-24(18-9-5-4-6-10-18)28-29(23)17-20-11-7-8-12-21(20)22-16-19(25(30)31)14-15-26-22/h4-12,14-16H,2-3,13,17H2,1H3,(H,30,31)