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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C(C)C)CC2=CC=C(C=C2)C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CCCN1C(=NC(=N1)C(C)C)CC2=CC=C(C=C2)C3=C(C=CC=N3)C(=O)O

InChI

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