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

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

Systemtic Name:3-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid
Openeye Name:3-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid
CAS Name:3-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid
IUPAC Name:3-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid
Traditional Name:3-[(5-amyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid
Formula: C23H28N4O2
MolecularWeight: 392.49402
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(=N1)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CCC


Isomeric SMILES

CCCCCC1=NN(C(=N1)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O)CCC


InChI

InChI=1S/C23H28N4O2/c1-3-5-7-12-20-25-21(27(26-20)15-4-2)16-19-18(23(28)29)13-14-24-22(19)17-10-8-6-9-11-17/h6,8-11,13-14H,3-5,7,12,15-16H2,1-2H3,(H,28,29)


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