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

Systemtic Name: 3-[(3-butan-2-yl-5-butyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(5-butyl-3-sec-butyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(3-butan-2-yl-5-butyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(3-butan-2-yl-5-butyl-1,2,4-triazol-1-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(5-butyl-3-sec-butyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-isonicotinic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-4-6-12-20-25-22(16(3)5-2)26-27(20)15-19-18(23(28)29)13-14-24-21(19)17-10-8-7-9-11-17/h7-11,13-14,16H,4-6,12,15H2,1-3H3,(H,28,29)