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

Systemtic Name: 2-[3-[1-(5-butyl-1,2,4-triazol-1-yl)-2-oxidanylidene-pentyl]phenyl]pyridine-3-carboxylic acid Openeye Name: 2-[3-[1-(5-butyl-1,2,4-triazol-1-yl)-2-oxo-pentyl]phenyl]pyridine-3-carboxylic acid CAS Name: 2-[3-[1-(5-butyl-1,2,4-triazol-1-yl)-2-oxopentyl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-[1-(5-butyl-1,2,4-triazol-1-yl)-2-oxopentyl]phenyl]pyridine-3-carboxylic acid Traditional Name: 2-[3-[1-(5-butyl-1,2,4-triazol-1-yl)-2-keto-pentyl]phenyl]nicotinic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=NN1C(C2=CC=CC(=C2)C3=C(C=CC=N3)C(=O)O)C(=O)CCC

Isomeric SMILES

CCCCC1=NC=NN1C(C2=CC=CC(=C2)C3=C(C=CC=N3)C(=O)O)C(=O)CCC

InChI

InChI=1S/C23H26N4O3/c1-3-5-12-20-25-15-26-27(20)22(19(28)8-4-2)17-10-6-9-16(14-17)21-18(23(29)30)11-7-13-24-21/h6-7,9-11,13-15,22H,3-5,8,12H2,1-2H3,(H,29,30)