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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)CC2=CC=CC=C2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCN1C(=NC(=N1)CC2=CC=CC=C2)CC3=C(C=CN=C3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H24N4O2/c1-2-15-29-23(27-22(28-29)16-18-9-5-3-6-10-18)17-21-20(25(30)31)13-14-26-24(21)19-11-7-4-8-12-19/h3-14H,2,15-17H2,1H3,(H,30,31)