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

Systemtic Name: 3-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=N1)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CCC

Isomeric SMILES

CCCC1=NN(C(=N1)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CCC

InChI

InChI=1S/C21H24N4O2/c1-3-8-18-23-19(25(24-18)13-4-2)14-17-16(21(26)27)11-12-22-20(17)15-9-6-5-7-10-15/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,26,27)